USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 GLN : amide:sc= 0.187 K(o=3,f=-3.8!) USER MOD Set 1.2: A 58 MET CE :methyl -108:sc= -0.493 (180deg=-0.194) USER MOD Set 1.3: A 98 THR OG1 : rot -135:sc= 1.36 USER MOD Set 1.4: A 127 SER OG : rot -158:sc= 1.96 USER MOD Set 2.1: A 91 SER OG : rot 180:sc= -1.51! USER MOD Set 2.2: A 131 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 62 GLN : amide:sc= 0.45 K(o=1.1,f=-0.41) USER MOD Set 3.2: A 68 SER OG : rot -31:sc= 0.65 USER MOD Set 4.1: A 38 THR OG1 : rot 73:sc= 0.622 USER MOD Set 4.2: A 40 SER OG : rot -160:sc= 0.378 USER MOD Single : A 27 SER OG : rot 18:sc= 1.16 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0891 F(o=-0.65!,f=-0.089) USER MOD Single : A 42 SER OG : rot -88:sc= 1.19 USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -1.51 (180deg=-2.83!) USER MOD Single : A 45 GLN : amide:sc= -0.981 X(o=-0.98,f=-1) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= 0.0291 K(o=0.029,f=-3.9!) USER MOD Single : A 61 SER OG : rot 75:sc= -0.124 USER MOD Single : A 63 SER OG : rot 76:sc= 1.75 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 170:sc= -0.0101 (180deg=-0.0849) USER MOD Single : A 70 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.036) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.397 K(o=0.4,f=-5!) USER MOD Single : A 78 SER OG : rot 87:sc= 1.26 USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= -0.254 (180deg=-1.01) USER MOD Single : A 82 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.43) USER MOD Single : A 85 ASN : amide:sc=-0.00866 K(o=-0.0087,f=-0.93) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.34 K(o=-1.3,f=-2!) USER MOD Single : A 103 SER OG : rot 96:sc= 1.27 USER MOD Single : A 104 SER OG : rot -84:sc= 1.1 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0.293 K(o=0.29,f=-2.9!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -0.636 K(o=-0.64,f=-4.2!) USER MOD Single : A 118 SER OG : rot 120:sc= 0.809 USER MOD Single : A 119 HIS : no HE2:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 120 SER OG : rot 171:sc= 1.03 USER MOD Single : A 122 ASN : amide:sc= 0.139 K(o=0.14,f=-8.8!) USER MOD Single : A 124 MET CE :methyl 164:sc= -0.0633 (180deg=-0.432) USER MOD Single : A 126 HIS :FLIP no HD1:sc= -0.377 F(o=-1.2,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -9.307 -0.964 10.883 1.00 0.00 N ATOM 24 CA LEU A 26 -7.860 -0.863 10.743 1.00 0.00 C ATOM 25 C LEU A 26 -7.519 -0.019 9.520 1.00 0.00 C ATOM 26 O LEU A 26 -7.243 -0.550 8.456 1.00 0.00 O ATOM 27 CB LEU A 26 -7.247 -2.268 10.608 1.00 0.00 C ATOM 28 CG LEU A 26 -5.806 -2.422 11.110 1.00 0.00 C ATOM 29 CD1 LEU A 26 -5.417 -3.890 11.129 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.833 -1.636 10.246 1.00 0.00 C ATOM 0 HA LEU A 26 -7.446 -0.384 11.630 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.877 -2.972 11.151 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.278 -2.557 9.558 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.756 -2.022 12.123 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.392 -3.990 11.487 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.088 -4.436 11.792 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.491 -4.299 10.121 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.820 -1.766 10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.883 -1.999 9.219 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.097 -0.579 10.270 1.00 0.00 H new ATOM 42 N SER A 27 -7.539 1.289 9.669 1.00 0.00 N ATOM 43 CA SER A 27 -7.270 2.172 8.543 1.00 0.00 C ATOM 44 C SER A 27 -5.948 2.901 8.728 1.00 0.00 C ATOM 45 O SER A 27 -5.390 2.923 9.826 1.00 0.00 O ATOM 46 CB SER A 27 -8.421 3.170 8.379 1.00 0.00 C ATOM 47 OG SER A 27 -8.769 3.776 9.615 1.00 0.00 O ATOM 0 H SER A 27 -7.736 1.766 10.549 1.00 0.00 H new ATOM 0 HA SER A 27 -7.193 1.570 7.638 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.135 3.941 7.663 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.291 2.658 7.967 1.00 0.00 H new ATOM 0 HG SER A 27 -8.040 3.650 10.258 1.00 0.00 H new ATOM 53 N TRP A 28 -5.446 3.499 7.651 1.00 0.00 N ATOM 54 CA TRP A 28 -4.204 4.264 7.706 1.00 0.00 C ATOM 55 C TRP A 28 -4.407 5.632 8.361 1.00 0.00 C ATOM 56 O TRP A 28 -3.660 6.578 8.109 1.00 0.00 O ATOM 57 CB TRP A 28 -3.581 4.412 6.308 1.00 0.00 C ATOM 58 CG TRP A 28 -4.549 4.703 5.193 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.687 5.460 5.245 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.431 4.250 3.840 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.293 5.484 4.011 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.538 4.753 3.131 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.498 3.462 3.160 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.733 4.494 1.775 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.691 3.206 1.817 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.802 3.722 1.136 1.00 0.00 C ATOM 0 H TRP A 28 -5.881 3.468 6.729 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.508 3.703 8.330 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.842 5.213 6.342 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.045 3.493 6.069 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.055 5.965 6.126 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.163 5.967 3.787 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.639 3.060 3.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.589 4.889 1.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.975 2.599 1.283 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.926 3.506 0.085 1.00 0.00 H new ATOM 77 N TYR A 29 -5.424 5.721 9.206 1.00 0.00 N ATOM 78 CA TYR A 29 -5.658 6.898 10.024 1.00 0.00 C ATOM 79 C TYR A 29 -5.871 6.483 11.473 1.00 0.00 C ATOM 80 O TYR A 29 -6.552 7.163 12.241 1.00 0.00 O ATOM 81 CB TYR A 29 -6.853 7.704 9.511 1.00 0.00 C ATOM 82 CG TYR A 29 -6.506 8.600 8.344 1.00 0.00 C ATOM 83 CD1 TYR A 29 -5.978 9.868 8.558 1.00 0.00 C ATOM 84 CD2 TYR A 29 -6.688 8.179 7.034 1.00 0.00 C ATOM 85 CE1 TYR A 29 -5.641 10.688 7.501 1.00 0.00 C ATOM 86 CE2 TYR A 29 -6.356 8.996 5.971 1.00 0.00 C ATOM 87 CZ TYR A 29 -5.831 10.249 6.210 1.00 0.00 C ATOM 88 OH TYR A 29 -5.491 11.062 5.154 1.00 0.00 O ATOM 0 H TYR A 29 -6.109 4.978 9.342 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.780 7.541 9.962 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.645 7.018 9.212 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.249 8.313 10.324 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.829 10.217 9.569 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.096 7.197 6.843 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.230 11.670 7.685 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.507 8.655 4.957 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.687 10.602 4.311 1.00 0.00 H new ATOM 98 N ASP A 30 -5.308 5.337 11.827 1.00 0.00 N ATOM 99 CA ASP A 30 -5.327 4.858 13.202 1.00 0.00 C ATOM 100 C ASP A 30 -3.973 5.096 13.852 1.00 0.00 C ATOM 101 O ASP A 30 -2.940 5.077 13.180 1.00 0.00 O ATOM 102 CB ASP A 30 -5.691 3.373 13.253 1.00 0.00 C ATOM 103 CG ASP A 30 -7.164 3.130 12.989 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.587 3.209 11.818 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.912 2.862 13.955 1.00 0.00 O ATOM 0 H ASP A 30 -4.828 4.717 11.175 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.087 5.412 13.754 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.098 2.831 12.516 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.429 2.971 14.232 1.00 0.00 H new ATOM 110 N PRO A 31 -3.965 5.322 15.173 1.00 0.00 N ATOM 111 CA PRO A 31 -2.761 5.712 15.916 1.00 0.00 C ATOM 112 C PRO A 31 -1.766 4.570 16.096 1.00 0.00 C ATOM 113 O PRO A 31 -0.647 4.781 16.564 1.00 0.00 O ATOM 114 CB PRO A 31 -3.318 6.157 17.270 1.00 0.00 C ATOM 115 CG PRO A 31 -4.570 5.372 17.434 1.00 0.00 C ATOM 116 CD PRO A 31 -5.143 5.218 16.054 1.00 0.00 C ATOM 0 HA PRO A 31 -2.196 6.481 15.389 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.613 5.953 18.076 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.517 7.229 17.285 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.366 4.400 17.883 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.270 5.886 18.092 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.649 4.260 15.935 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.876 5.995 15.836 1.00 0.00 H new ATOM 124 N ASP A 32 -2.170 3.360 15.736 1.00 0.00 N ATOM 125 CA ASP A 32 -1.287 2.205 15.850 1.00 0.00 C ATOM 126 C ASP A 32 -0.937 1.648 14.476 1.00 0.00 C ATOM 127 O ASP A 32 -0.344 0.573 14.363 1.00 0.00 O ATOM 128 CB ASP A 32 -1.934 1.116 16.709 1.00 0.00 C ATOM 129 CG ASP A 32 -3.106 0.442 16.025 1.00 0.00 C ATOM 130 OD1 ASP A 32 -4.148 1.100 15.838 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.991 -0.756 15.687 1.00 0.00 O ATOM 0 H ASP A 32 -3.097 3.152 15.365 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.367 2.534 16.333 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.185 0.365 16.959 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.271 1.554 17.648 1.00 0.00 H new ATOM 136 N PHE A 33 -1.289 2.387 13.434 1.00 0.00 N ATOM 137 CA PHE A 33 -1.003 1.960 12.076 1.00 0.00 C ATOM 138 C PHE A 33 0.458 2.230 11.731 1.00 0.00 C ATOM 139 O PHE A 33 0.963 3.332 11.944 1.00 0.00 O ATOM 140 CB PHE A 33 -1.922 2.678 11.084 1.00 0.00 C ATOM 141 CG PHE A 33 -1.728 2.239 9.661 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.272 1.048 9.211 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.001 3.019 8.775 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.099 0.641 7.904 1.00 0.00 C ATOM 145 CE2 PHE A 33 -0.824 2.618 7.466 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.373 1.428 7.029 1.00 0.00 C ATOM 0 H PHE A 33 -1.772 3.283 13.504 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.186 0.888 12.006 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.959 2.505 11.371 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.748 3.752 11.151 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.839 0.430 9.891 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.569 3.950 9.112 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.529 -0.290 7.565 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.257 3.234 6.784 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.235 1.113 6.005 1.00 0.00 H new ATOM 156 N GLN A 34 1.136 1.218 11.209 1.00 0.00 N ATOM 157 CA GLN A 34 2.530 1.355 10.817 1.00 0.00 C ATOM 158 C GLN A 34 2.717 0.889 9.379 1.00 0.00 C ATOM 159 O GLN A 34 2.234 -0.179 8.999 1.00 0.00 O ATOM 160 CB GLN A 34 3.429 0.544 11.756 1.00 0.00 C ATOM 161 CG GLN A 34 3.397 1.018 13.199 1.00 0.00 C ATOM 162 CD GLN A 34 4.238 0.163 14.130 1.00 0.00 C ATOM 163 OE1 GLN A 34 5.321 -0.404 13.619 1.00 0.00 O flip ATOM 164 NE2 GLN A 34 3.922 0.020 15.309 1.00 0.00 N flip ATOM 0 H GLN A 34 0.742 0.291 11.047 1.00 0.00 H new ATOM 0 HA GLN A 34 2.811 2.406 10.887 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.125 -0.502 11.721 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.455 0.590 11.391 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.751 2.048 13.244 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.365 1.020 13.551 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.081 0.471 15.670 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.500 -0.550 15.927 1.00 0.00 H new ATOM 173 N ALA A 35 3.413 1.693 8.587 1.00 0.00 N ATOM 174 CA ALA A 35 3.660 1.367 7.191 1.00 0.00 C ATOM 175 C ALA A 35 5.043 1.840 6.769 1.00 0.00 C ATOM 176 O ALA A 35 5.604 2.753 7.377 1.00 0.00 O ATOM 177 CB ALA A 35 2.590 1.988 6.303 1.00 0.00 C ATOM 0 H ALA A 35 3.818 2.579 8.890 1.00 0.00 H new ATOM 0 HA ALA A 35 3.618 0.284 7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.789 1.735 5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.611 1.603 6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.603 3.071 6.422 1.00 0.00 H new ATOM 183 N ARG A 36 5.591 1.214 5.737 1.00 0.00 N ATOM 184 CA ARG A 36 6.910 1.569 5.238 1.00 0.00 C ATOM 185 C ARG A 36 6.986 1.323 3.735 1.00 0.00 C ATOM 186 O ARG A 36 6.214 0.533 3.188 1.00 0.00 O ATOM 187 CB ARG A 36 7.994 0.770 5.983 1.00 0.00 C ATOM 188 CG ARG A 36 7.921 -0.743 5.796 1.00 0.00 C ATOM 189 CD ARG A 36 8.731 -1.208 4.593 1.00 0.00 C ATOM 190 NE ARG A 36 10.150 -0.892 4.740 1.00 0.00 N ATOM 191 CZ ARG A 36 11.122 -1.497 4.063 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.830 -2.424 3.160 1.00 0.00 N ATOM 193 NH2 ARG A 36 12.388 -1.171 4.279 1.00 0.00 N ATOM 0 H ARG A 36 5.139 0.454 5.228 1.00 0.00 H new ATOM 0 HA ARG A 36 7.085 2.629 5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.973 1.116 5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.922 0.994 7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 36 8.290 -1.238 6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.881 -1.043 5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.609 -2.284 4.467 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.345 -0.735 3.690 1.00 0.00 H new ATOM 0 HE ARG A 36 10.411 -0.162 5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.857 -2.675 2.983 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.578 -2.886 2.643 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.620 -0.454 4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.131 -1.637 3.758 1.00 0.00 H new ATOM 206 N LEU A 37 7.909 2.009 3.077 1.00 0.00 N ATOM 207 CA LEU A 37 8.108 1.851 1.646 1.00 0.00 C ATOM 208 C LEU A 37 9.380 1.058 1.381 1.00 0.00 C ATOM 209 O LEU A 37 10.367 1.181 2.107 1.00 0.00 O ATOM 210 CB LEU A 37 8.170 3.221 0.976 1.00 0.00 C ATOM 211 CG LEU A 37 6.890 4.049 1.106 1.00 0.00 C ATOM 212 CD1 LEU A 37 7.115 5.464 0.619 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.754 3.405 0.327 1.00 0.00 C ATOM 0 H LEU A 37 8.535 2.684 3.516 1.00 0.00 H new ATOM 0 HA LEU A 37 7.268 1.300 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.998 3.785 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.393 3.084 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 37 6.617 4.083 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.192 6.035 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.899 5.933 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.416 5.445 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.853 4.009 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.026 3.340 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.568 2.404 0.716 1.00 0.00 H new ATOM 225 N THR A 38 9.336 0.241 0.343 1.00 0.00 N ATOM 226 CA THR A 38 10.407 -0.699 0.041 1.00 0.00 C ATOM 227 C THR A 38 11.599 -0.035 -0.643 1.00 0.00 C ATOM 228 O THR A 38 11.536 1.122 -1.064 1.00 0.00 O ATOM 229 CB THR A 38 9.885 -1.813 -0.878 1.00 0.00 C ATOM 230 OG1 THR A 38 9.346 -1.232 -2.072 1.00 0.00 O ATOM 231 CG2 THR A 38 8.815 -2.635 -0.183 1.00 0.00 C ATOM 0 H THR A 38 8.558 0.209 -0.316 1.00 0.00 H new ATOM 0 HA THR A 38 10.742 -1.103 0.996 1.00 0.00 H new ATOM 0 HB THR A 38 10.715 -2.473 -1.128 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.078 -0.903 -2.635 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.463 -3.417 -0.856 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.232 -3.090 0.715 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.981 -1.989 0.091 1.00 0.00 H new ATOM 239 N ARG A 39 12.673 -0.811 -0.776 1.00 0.00 N ATOM 240 CA ARG A 39 13.893 -0.381 -1.456 1.00 0.00 C ATOM 241 C ARG A 39 13.692 -0.324 -2.969 1.00 0.00 C ATOM 242 O ARG A 39 14.416 -0.972 -3.726 1.00 0.00 O ATOM 243 CB ARG A 39 15.027 -1.359 -1.150 1.00 0.00 C ATOM 244 CG ARG A 39 15.445 -1.402 0.309 1.00 0.00 C ATOM 245 CD ARG A 39 16.107 -2.730 0.643 1.00 0.00 C ATOM 246 NE ARG A 39 16.920 -3.231 -0.465 1.00 0.00 N ATOM 247 CZ ARG A 39 17.000 -4.518 -0.793 1.00 0.00 C ATOM 248 NH1 ARG A 39 16.352 -5.425 -0.074 1.00 0.00 N ATOM 249 NH2 ARG A 39 17.712 -4.905 -1.838 1.00 0.00 N ATOM 0 H ARG A 39 12.721 -1.763 -0.412 1.00 0.00 H new ATOM 0 HA ARG A 39 14.143 0.617 -1.094 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.720 -2.359 -1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.893 -1.092 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.134 -0.584 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.573 -1.255 0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.733 -2.611 1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.341 -3.465 0.892 1.00 0.00 H new ATOM 0 HE ARG A 39 17.454 -2.558 -1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.793 -5.135 0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.412 -6.412 -0.324 1.00 0.00 H new ATOM 0 HH21 ARG A 39 18.207 -4.214 -2.402 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.766 -5.894 -2.080 1.00 0.00 H new ATOM 262 N SER A 40 12.714 0.444 -3.406 1.00 0.00 N ATOM 263 CA SER A 40 12.413 0.556 -4.823 1.00 0.00 C ATOM 264 C SER A 40 13.404 1.481 -5.520 1.00 0.00 C ATOM 265 O SER A 40 14.073 1.081 -6.473 1.00 0.00 O ATOM 266 CB SER A 40 10.986 1.060 -5.015 1.00 0.00 C ATOM 267 OG SER A 40 10.067 0.206 -4.355 1.00 0.00 O ATOM 0 H SER A 40 12.112 1.002 -2.800 1.00 0.00 H new ATOM 0 HA SER A 40 12.503 -0.432 -5.274 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.896 2.073 -4.624 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.750 1.106 -6.078 1.00 0.00 H new ATOM 0 HG SER A 40 9.171 0.336 -4.731 1.00 0.00 H new ATOM 273 N ASN A 41 13.510 2.710 -5.034 1.00 0.00 N ATOM 274 CA ASN A 41 14.421 3.679 -5.630 1.00 0.00 C ATOM 275 C ASN A 41 14.804 4.738 -4.611 1.00 0.00 C ATOM 276 O ASN A 41 15.975 5.092 -4.485 1.00 0.00 O ATOM 277 CB ASN A 41 13.783 4.335 -6.859 1.00 0.00 C ATOM 278 CG ASN A 41 14.797 4.955 -7.815 1.00 0.00 C ATOM 279 OD1 ASN A 41 15.891 5.495 -7.296 1.00 0.00 O flip ATOM 280 ND2 ASN A 41 14.588 4.954 -9.026 1.00 0.00 N flip ATOM 0 H ASN A 41 12.981 3.059 -4.235 1.00 0.00 H new ATOM 0 HA ASN A 41 15.322 3.153 -5.947 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.198 3.589 -7.397 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.088 5.107 -6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.737 4.531 -9.396 1.00 0.00 H new ATOM 0 HD22 ASN A 41 15.266 5.376 -9.661 1.00 0.00 H new ATOM 287 N SER A 42 13.821 5.233 -3.881 1.00 0.00 N ATOM 288 CA SER A 42 14.067 6.252 -2.883 1.00 0.00 C ATOM 289 C SER A 42 13.139 6.037 -1.692 1.00 0.00 C ATOM 290 O SER A 42 12.214 5.226 -1.752 1.00 0.00 O ATOM 291 CB SER A 42 13.871 7.639 -3.495 1.00 0.00 C ATOM 292 OG SER A 42 14.324 8.656 -2.620 1.00 0.00 O ATOM 0 H SER A 42 12.846 4.945 -3.962 1.00 0.00 H new ATOM 0 HA SER A 42 15.097 6.181 -2.532 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.411 7.702 -4.440 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.816 7.794 -3.720 1.00 0.00 H new ATOM 0 HG SER A 42 13.596 8.918 -2.018 1.00 0.00 H new ATOM 298 N LYS A 43 13.394 6.783 -0.624 1.00 0.00 N ATOM 299 CA LYS A 43 12.834 6.491 0.694 1.00 0.00 C ATOM 300 C LYS A 43 11.348 6.812 0.805 1.00 0.00 C ATOM 301 O LYS A 43 10.677 6.299 1.699 1.00 0.00 O ATOM 302 CB LYS A 43 13.607 7.255 1.777 1.00 0.00 C ATOM 303 CG LYS A 43 15.067 6.837 1.895 1.00 0.00 C ATOM 304 CD LYS A 43 15.213 5.382 2.331 1.00 0.00 C ATOM 305 CE LYS A 43 15.114 5.214 3.845 1.00 0.00 C ATOM 306 NZ LYS A 43 13.788 5.628 4.384 1.00 0.00 N ATOM 0 H LYS A 43 13.994 7.607 -0.645 1.00 0.00 H new ATOM 0 HA LYS A 43 12.938 5.416 0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.560 8.322 1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.116 7.103 2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.563 6.979 0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.572 7.483 2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.440 4.783 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.174 4.998 1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.297 4.171 4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.896 5.803 4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.591 5.104 5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.798 6.648 4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.048 5.421 3.683 1.00 0.00 H new ATOM 319 N CYS A 44 10.834 7.662 -0.071 1.00 0.00 N ATOM 320 CA CYS A 44 9.434 8.049 0.005 1.00 0.00 C ATOM 321 C CYS A 44 8.702 7.729 -1.298 1.00 0.00 C ATOM 322 O CYS A 44 7.745 8.407 -1.680 1.00 0.00 O ATOM 323 CB CYS A 44 9.324 9.536 0.340 1.00 0.00 C ATOM 324 SG CYS A 44 7.682 10.053 0.930 1.00 0.00 S ATOM 0 H CYS A 44 11.357 8.092 -0.833 1.00 0.00 H new ATOM 0 HA CYS A 44 8.958 7.473 0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.064 9.780 1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.577 10.116 -0.548 1.00 0.00 H new ATOM 329 N GLN A 45 9.154 6.680 -1.977 1.00 0.00 N ATOM 330 CA GLN A 45 8.490 6.208 -3.184 1.00 0.00 C ATOM 331 C GLN A 45 8.809 4.738 -3.437 1.00 0.00 C ATOM 332 O GLN A 45 9.964 4.368 -3.671 1.00 0.00 O ATOM 333 CB GLN A 45 8.882 7.055 -4.398 1.00 0.00 C ATOM 334 CG GLN A 45 10.376 7.278 -4.540 1.00 0.00 C ATOM 335 CD GLN A 45 10.754 7.852 -5.889 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.115 7.567 -6.902 1.00 0.00 O ATOM 337 NE2 GLN A 45 11.777 8.683 -5.907 1.00 0.00 N ATOM 0 H GLN A 45 9.978 6.141 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 45 7.415 6.309 -3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.510 6.571 -5.301 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.386 8.023 -4.328 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.715 7.953 -3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.896 6.331 -4.393 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.279 8.892 -5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.066 9.117 -6.784 1.00 0.00 H new ATOM 346 N GLY A 46 7.783 3.904 -3.381 1.00 0.00 N ATOM 347 CA GLY A 46 7.972 2.492 -3.623 1.00 0.00 C ATOM 348 C GLY A 46 6.761 1.672 -3.245 1.00 0.00 C ATOM 349 O GLY A 46 5.638 2.183 -3.227 1.00 0.00 O ATOM 0 H GLY A 46 6.824 4.180 -3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.198 2.335 -4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.835 2.142 -3.056 1.00 0.00 H new ATOM 353 N GLN A 47 6.988 0.402 -2.947 1.00 0.00 N ATOM 354 CA GLN A 47 5.909 -0.507 -2.596 1.00 0.00 C ATOM 355 C GLN A 47 5.476 -0.262 -1.159 1.00 0.00 C ATOM 356 O GLN A 47 6.316 -0.075 -0.275 1.00 0.00 O ATOM 357 CB GLN A 47 6.372 -1.957 -2.760 1.00 0.00 C ATOM 358 CG GLN A 47 7.166 -2.206 -4.033 1.00 0.00 C ATOM 359 CD GLN A 47 7.723 -3.612 -4.102 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.118 -4.553 -3.597 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.885 -3.763 -4.720 1.00 0.00 N ATOM 0 H GLN A 47 7.915 -0.024 -2.941 1.00 0.00 H new ATOM 0 HA GLN A 47 5.063 -0.328 -3.260 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.984 -2.233 -1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.500 -2.610 -2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.526 -2.029 -4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.986 -1.490 -4.092 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.355 -2.954 -5.126 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.309 -4.688 -4.789 1.00 0.00 H new ATOM 370 N LEU A 48 4.174 -0.247 -0.930 1.00 0.00 N ATOM 371 CA LEU A 48 3.643 -0.006 0.400 1.00 0.00 C ATOM 372 C LEU A 48 3.554 -1.304 1.197 1.00 0.00 C ATOM 373 O LEU A 48 2.768 -2.196 0.869 1.00 0.00 O ATOM 374 CB LEU A 48 2.257 0.641 0.309 1.00 0.00 C ATOM 375 CG LEU A 48 1.640 1.067 1.647 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.423 2.215 2.269 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.182 1.457 1.456 1.00 0.00 C ATOM 0 H LEU A 48 3.466 -0.399 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 48 4.323 0.671 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.326 1.517 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.579 -0.060 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 48 1.688 0.219 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.964 2.497 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.452 1.901 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.414 3.070 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.243 1.757 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.117 2.288 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.374 0.606 1.063 1.00 0.00 H new ATOM 389 N GLU A 49 4.377 -1.410 2.228 1.00 0.00 N ATOM 390 CA GLU A 49 4.280 -2.512 3.169 1.00 0.00 C ATOM 391 C GLU A 49 3.650 -2.018 4.456 1.00 0.00 C ATOM 392 O GLU A 49 4.035 -0.974 4.983 1.00 0.00 O ATOM 393 CB GLU A 49 5.645 -3.134 3.470 1.00 0.00 C ATOM 394 CG GLU A 49 6.235 -3.923 2.316 1.00 0.00 C ATOM 395 CD GLU A 49 7.540 -4.599 2.684 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.581 -3.909 2.758 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.537 -5.829 2.892 1.00 0.00 O ATOM 0 H GLU A 49 5.121 -0.744 2.434 1.00 0.00 H new ATOM 0 HA GLU A 49 3.660 -3.285 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.340 -2.341 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.550 -3.791 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.518 -4.677 1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.401 -3.255 1.471 1.00 0.00 H new ATOM 404 N VAL A 50 2.682 -2.759 4.951 1.00 0.00 N ATOM 405 CA VAL A 50 1.971 -2.369 6.156 1.00 0.00 C ATOM 406 C VAL A 50 2.143 -3.416 7.248 1.00 0.00 C ATOM 407 O VAL A 50 2.324 -4.601 6.958 1.00 0.00 O ATOM 408 CB VAL A 50 0.469 -2.149 5.880 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.269 -0.981 4.926 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.166 -3.410 5.315 1.00 0.00 C ATOM 0 H VAL A 50 2.367 -3.637 4.539 1.00 0.00 H new ATOM 0 HA VAL A 50 2.401 -1.426 6.494 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.020 -1.914 6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.796 -0.840 4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.684 -0.075 5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.775 -1.190 3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.225 -3.232 5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.327 -3.679 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.056 -4.225 6.031 1.00 0.00 H new ATOM 420 N TYR A 51 2.108 -2.965 8.494 1.00 0.00 N ATOM 421 CA TYR A 51 2.232 -3.855 9.641 1.00 0.00 C ATOM 422 C TYR A 51 0.860 -4.355 10.067 1.00 0.00 C ATOM 423 O TYR A 51 0.063 -3.604 10.632 1.00 0.00 O ATOM 424 CB TYR A 51 2.920 -3.134 10.807 1.00 0.00 C ATOM 425 CG TYR A 51 3.021 -3.964 12.073 1.00 0.00 C ATOM 426 CD1 TYR A 51 3.917 -5.023 12.167 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.209 -3.694 13.172 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.003 -5.782 13.317 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.291 -4.449 14.324 1.00 0.00 C ATOM 430 CZ TYR A 51 3.188 -5.492 14.392 1.00 0.00 C ATOM 431 OH TYR A 51 3.267 -6.253 15.537 1.00 0.00 O ATOM 0 H TYR A 51 1.994 -1.981 8.738 1.00 0.00 H new ATOM 0 HA TYR A 51 2.844 -4.710 9.353 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.923 -2.839 10.497 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.372 -2.218 11.028 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.555 -5.255 11.328 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.502 -2.879 13.122 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.706 -6.600 13.375 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.655 -4.223 15.168 1.00 0.00 H new ATOM 0 HH TYR A 51 2.627 -5.916 16.198 1.00 0.00 H new ATOM 441 N LEU A 52 0.588 -5.616 9.782 1.00 0.00 N ATOM 442 CA LEU A 52 -0.690 -6.221 10.123 1.00 0.00 C ATOM 443 C LEU A 52 -0.467 -7.491 10.942 1.00 0.00 C ATOM 444 O LEU A 52 0.592 -7.664 11.548 1.00 0.00 O ATOM 445 CB LEU A 52 -1.481 -6.535 8.846 1.00 0.00 C ATOM 446 CG LEU A 52 -1.788 -5.332 7.951 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.532 -5.784 6.709 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.601 -4.285 8.698 1.00 0.00 C ATOM 0 H LEU A 52 1.239 -6.245 9.312 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.267 -5.518 10.724 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.921 -7.267 8.263 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.423 -7.006 9.129 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.842 -4.878 7.656 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.746 -4.921 6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.918 -6.494 6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.468 -6.262 6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.804 -3.442 8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.543 -4.723 9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.039 -3.939 9.565 1.00 0.00 H new ATOM 460 N LYS A 53 -1.459 -8.378 10.953 1.00 0.00 N ATOM 461 CA LYS A 53 -1.381 -9.619 11.720 1.00 0.00 C ATOM 462 C LYS A 53 -0.173 -10.454 11.289 1.00 0.00 C ATOM 463 O LYS A 53 0.418 -11.181 12.087 1.00 0.00 O ATOM 464 CB LYS A 53 -2.662 -10.441 11.534 1.00 0.00 C ATOM 465 CG LYS A 53 -3.948 -9.683 11.854 1.00 0.00 C ATOM 466 CD LYS A 53 -4.010 -9.240 13.309 1.00 0.00 C ATOM 467 CE LYS A 53 -4.096 -10.426 14.257 1.00 0.00 C ATOM 468 NZ LYS A 53 -4.214 -9.991 15.674 1.00 0.00 N ATOM 0 H LYS A 53 -2.331 -8.259 10.437 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.268 -9.356 12.772 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.708 -10.792 10.503 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.608 -11.325 12.169 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.023 -8.809 11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.806 -10.318 11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.126 -8.648 13.547 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.875 -8.594 13.456 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.956 -11.041 13.993 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.210 -11.050 14.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.270 -10.827 16.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.381 -9.425 15.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.073 -9.417 15.790 1.00 0.00 H new ATOM 481 N ASP A 54 0.191 -10.333 10.020 1.00 0.00 N ATOM 482 CA ASP A 54 1.299 -11.099 9.458 1.00 0.00 C ATOM 483 C ASP A 54 2.577 -10.270 9.413 1.00 0.00 C ATOM 484 O ASP A 54 3.488 -10.560 8.635 1.00 0.00 O ATOM 485 CB ASP A 54 0.954 -11.582 8.046 1.00 0.00 C ATOM 486 CG ASP A 54 -0.275 -12.466 8.010 1.00 0.00 C ATOM 487 OD1 ASP A 54 -1.394 -11.930 7.891 1.00 0.00 O ATOM 488 OD2 ASP A 54 -0.129 -13.705 8.101 1.00 0.00 O ATOM 0 H ASP A 54 -0.266 -9.709 9.356 1.00 0.00 H new ATOM 0 HA ASP A 54 1.466 -11.960 10.105 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.793 -10.718 7.401 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.802 -12.131 7.638 1.00 0.00 H new ATOM 493 N GLY A 55 2.645 -9.242 10.244 1.00 0.00 N ATOM 494 CA GLY A 55 3.813 -8.387 10.265 1.00 0.00 C ATOM 495 C GLY A 55 3.842 -7.443 9.083 1.00 0.00 C ATOM 496 O GLY A 55 2.795 -6.961 8.650 1.00 0.00 O ATOM 0 H GLY A 55 1.912 -8.984 10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.825 -7.811 11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.713 -9.002 10.261 1.00 0.00 H new ATOM 500 N TRP A 56 5.029 -7.184 8.556 1.00 0.00 N ATOM 501 CA TRP A 56 5.177 -6.312 7.401 1.00 0.00 C ATOM 502 C TRP A 56 4.895 -7.091 6.128 1.00 0.00 C ATOM 503 O TRP A 56 5.586 -8.066 5.824 1.00 0.00 O ATOM 504 CB TRP A 56 6.585 -5.716 7.349 1.00 0.00 C ATOM 505 CG TRP A 56 6.901 -4.836 8.517 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.656 -5.159 9.607 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.463 -3.488 8.717 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.718 -4.093 10.468 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.992 -3.055 9.945 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.674 -2.606 7.974 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.758 -1.777 10.445 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.445 -1.340 8.470 1.00 0.00 C ATOM 513 CH2 TRP A 56 5.985 -0.936 9.696 1.00 0.00 C ATOM 0 H TRP A 56 5.906 -7.566 8.911 1.00 0.00 H new ATOM 0 HA TRP A 56 4.461 -5.495 7.489 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.313 -6.526 7.306 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.694 -5.140 6.430 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.134 -6.114 9.768 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.223 -4.076 11.354 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.251 -2.910 7.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.173 -1.462 11.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.839 -0.649 7.903 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.786 0.062 10.058 1.00 0.00 H new ATOM 524 N HIS A 57 3.871 -6.688 5.399 1.00 0.00 N ATOM 525 CA HIS A 57 3.488 -7.391 4.185 1.00 0.00 C ATOM 526 C HIS A 57 3.184 -6.419 3.054 1.00 0.00 C ATOM 527 O HIS A 57 2.728 -5.298 3.283 1.00 0.00 O ATOM 528 CB HIS A 57 2.286 -8.302 4.449 1.00 0.00 C ATOM 529 CG HIS A 57 2.662 -9.728 4.728 1.00 0.00 C ATOM 530 ND1 HIS A 57 3.770 -10.091 5.466 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.077 -10.888 4.344 1.00 0.00 C ATOM 532 CE1 HIS A 57 3.851 -11.406 5.523 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.836 -11.914 4.852 1.00 0.00 N ATOM 0 H HIS A 57 3.290 -5.880 5.624 1.00 0.00 H new ATOM 0 HA HIS A 57 4.332 -8.008 3.876 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.724 -7.911 5.297 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.622 -8.273 3.585 1.00 0.00 H new ATOM 0 HD1 HIS A 57 4.426 -9.442 5.901 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.181 -10.988 3.749 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.618 -11.971 6.032 1.00 0.00 H new ATOM 541 N MET A 58 3.443 -6.876 1.837 1.00 0.00 N ATOM 542 CA MET A 58 3.284 -6.071 0.635 1.00 0.00 C ATOM 543 C MET A 58 1.824 -6.026 0.208 1.00 0.00 C ATOM 544 O MET A 58 1.203 -7.068 0.005 1.00 0.00 O ATOM 545 CB MET A 58 4.118 -6.673 -0.499 1.00 0.00 C ATOM 546 CG MET A 58 5.601 -6.798 -0.180 1.00 0.00 C ATOM 547 SD MET A 58 6.439 -7.993 -1.242 1.00 0.00 S ATOM 548 CE MET A 58 5.996 -7.380 -2.865 1.00 0.00 C ATOM 0 H MET A 58 3.772 -7.824 1.655 1.00 0.00 H new ATOM 0 HA MET A 58 3.622 -5.057 0.851 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.725 -7.660 -0.740 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.000 -6.056 -1.390 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.076 -5.823 -0.290 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.721 -7.096 0.862 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.273 -8.055 -3.324 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.557 -6.387 -2.771 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.888 -7.325 -3.489 1.00 0.00 H new ATOM 558 N VAL A 59 1.279 -4.829 0.064 1.00 0.00 N ATOM 559 CA VAL A 59 -0.096 -4.683 -0.386 1.00 0.00 C ATOM 560 C VAL A 59 -0.167 -4.790 -1.905 1.00 0.00 C ATOM 561 O VAL A 59 0.549 -4.087 -2.621 1.00 0.00 O ATOM 562 CB VAL A 59 -0.709 -3.337 0.064 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.151 -3.207 -0.410 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.637 -3.190 1.578 1.00 0.00 C ATOM 0 H VAL A 59 1.763 -3.951 0.250 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.674 -5.488 0.069 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.125 -2.537 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.558 -2.251 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.182 -3.258 -1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.746 -4.019 0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.074 -2.236 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.190 -4.003 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.404 -3.226 1.898 1.00 0.00 H new ATOM 574 N CYS A 60 -1.011 -5.687 -2.389 1.00 0.00 N ATOM 575 CA CYS A 60 -1.211 -5.855 -3.821 1.00 0.00 C ATOM 576 C CYS A 60 -2.258 -4.848 -4.288 1.00 0.00 C ATOM 577 O CYS A 60 -3.281 -4.654 -3.629 1.00 0.00 O ATOM 578 CB CYS A 60 -1.653 -7.295 -4.134 1.00 0.00 C ATOM 579 SG CYS A 60 -1.335 -7.833 -5.851 1.00 0.00 S ATOM 0 H CYS A 60 -1.571 -6.312 -1.810 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.276 -5.675 -4.351 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.140 -7.974 -3.453 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.720 -7.386 -3.931 1.00 0.00 H new ATOM 584 N SER A 61 -1.982 -4.201 -5.418 1.00 0.00 N ATOM 585 CA SER A 61 -2.792 -3.081 -5.904 1.00 0.00 C ATOM 586 C SER A 61 -4.253 -3.459 -6.152 1.00 0.00 C ATOM 587 O SER A 61 -5.124 -2.594 -6.174 1.00 0.00 O ATOM 588 CB SER A 61 -2.186 -2.535 -7.195 1.00 0.00 C ATOM 589 OG SER A 61 -0.814 -2.237 -7.019 1.00 0.00 O ATOM 0 H SER A 61 -1.194 -4.435 -6.022 1.00 0.00 H new ATOM 0 HA SER A 61 -2.785 -2.323 -5.121 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.304 -3.266 -7.995 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.722 -1.637 -7.502 1.00 0.00 H new ATOM 0 HG SER A 61 -0.298 -3.070 -7.004 1.00 0.00 H new ATOM 595 N GLN A 62 -4.519 -4.747 -6.321 1.00 0.00 N ATOM 596 CA GLN A 62 -5.861 -5.212 -6.646 1.00 0.00 C ATOM 597 C GLN A 62 -6.666 -5.458 -5.364 1.00 0.00 C ATOM 598 O GLN A 62 -7.295 -6.503 -5.193 1.00 0.00 O ATOM 599 CB GLN A 62 -5.773 -6.492 -7.485 1.00 0.00 C ATOM 600 CG GLN A 62 -7.053 -6.832 -8.235 1.00 0.00 C ATOM 601 CD GLN A 62 -7.427 -5.785 -9.269 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.565 -5.110 -9.838 1.00 0.00 O ATOM 603 NE2 GLN A 62 -8.718 -5.651 -9.526 1.00 0.00 N ATOM 0 H GLN A 62 -3.824 -5.489 -6.239 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.375 -4.446 -7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.960 -6.387 -8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.515 -7.325 -6.831 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.934 -7.797 -8.728 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.870 -6.938 -7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.399 -6.229 -9.033 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.032 -4.970 -10.217 1.00 0.00 H new ATOM 612 N SER A 63 -6.641 -4.482 -4.466 1.00 0.00 N ATOM 613 CA SER A 63 -7.332 -4.597 -3.191 1.00 0.00 C ATOM 614 C SER A 63 -8.560 -3.689 -3.139 1.00 0.00 C ATOM 615 O SER A 63 -8.667 -2.728 -3.907 1.00 0.00 O ATOM 616 CB SER A 63 -6.380 -4.250 -2.040 1.00 0.00 C ATOM 617 OG SER A 63 -5.337 -5.205 -1.932 1.00 0.00 O ATOM 0 H SER A 63 -6.147 -3.599 -4.599 1.00 0.00 H new ATOM 0 HA SER A 63 -7.667 -5.629 -3.086 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.955 -3.260 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.937 -4.208 -1.104 1.00 0.00 H new ATOM 0 HG SER A 63 -4.678 -5.052 -2.641 1.00 0.00 H new ATOM 623 N TRP A 64 -9.469 -4.009 -2.217 1.00 0.00 N ATOM 624 CA TRP A 64 -10.694 -3.240 -1.981 1.00 0.00 C ATOM 625 C TRP A 64 -11.538 -3.118 -3.244 1.00 0.00 C ATOM 626 O TRP A 64 -12.301 -4.021 -3.590 1.00 0.00 O ATOM 627 CB TRP A 64 -10.376 -1.842 -1.429 1.00 0.00 C ATOM 628 CG TRP A 64 -9.514 -1.856 -0.207 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.856 -2.309 1.031 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.166 -1.384 -0.103 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.803 -2.156 1.898 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.754 -1.592 1.226 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.268 -0.811 -1.004 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.482 -1.247 1.673 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.006 -0.468 -0.558 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.624 -0.688 0.769 1.00 0.00 C ATOM 0 H TRP A 64 -9.375 -4.819 -1.605 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.271 -3.789 -1.237 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.880 -1.260 -2.205 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.311 -1.332 -1.197 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.816 -2.728 1.293 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.803 -2.420 2.883 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.554 -0.639 -2.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.184 -1.415 2.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.303 -0.022 -1.246 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.630 -0.410 1.086 1.00 0.00 H new ATOM 647 N GLY A 65 -11.378 -2.005 -3.935 1.00 0.00 N ATOM 648 CA GLY A 65 -12.113 -1.767 -5.156 1.00 0.00 C ATOM 649 C GLY A 65 -11.296 -0.969 -6.145 1.00 0.00 C ATOM 650 O GLY A 65 -11.820 -0.118 -6.858 1.00 0.00 O ATOM 0 H GLY A 65 -10.744 -1.252 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.398 -2.720 -5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.035 -1.233 -4.929 1.00 0.00 H new ATOM 654 N ARG A 66 -9.999 -1.236 -6.176 1.00 0.00 N ATOM 655 CA ARG A 66 -9.106 -0.544 -7.086 1.00 0.00 C ATOM 656 C ARG A 66 -9.093 -1.237 -8.435 1.00 0.00 C ATOM 657 O ARG A 66 -9.009 -2.462 -8.515 1.00 0.00 O ATOM 658 CB ARG A 66 -7.685 -0.485 -6.513 1.00 0.00 C ATOM 659 CG ARG A 66 -7.522 0.511 -5.374 1.00 0.00 C ATOM 660 CD ARG A 66 -7.521 1.947 -5.887 1.00 0.00 C ATOM 661 NE ARG A 66 -7.501 2.924 -4.797 1.00 0.00 N ATOM 662 CZ ARG A 66 -6.985 4.147 -4.906 1.00 0.00 C ATOM 663 NH1 ARG A 66 -6.381 4.516 -6.026 1.00 0.00 N ATOM 664 NH2 ARG A 66 -7.076 5.002 -3.898 1.00 0.00 N ATOM 0 H ARG A 66 -9.544 -1.928 -5.580 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.470 0.476 -7.213 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.405 -1.477 -6.158 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.992 -0.225 -7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.331 0.380 -4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.590 0.311 -4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.652 2.102 -6.527 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.405 2.111 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.906 2.652 -3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.311 3.863 -6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.986 5.453 -6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.543 4.725 -3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.679 5.938 -3.986 1.00 0.00 H new ATOM 677 N SER A 67 -9.220 -0.450 -9.485 1.00 0.00 N ATOM 678 CA SER A 67 -9.094 -0.956 -10.836 1.00 0.00 C ATOM 679 C SER A 67 -7.619 -1.169 -11.153 1.00 0.00 C ATOM 680 O SER A 67 -6.751 -0.602 -10.486 1.00 0.00 O ATOM 681 CB SER A 67 -9.711 0.043 -11.815 1.00 0.00 C ATOM 682 OG SER A 67 -11.043 0.364 -11.444 1.00 0.00 O ATOM 0 H SER A 67 -9.412 0.550 -9.426 1.00 0.00 H new ATOM 0 HA SER A 67 -9.620 -1.906 -10.929 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.108 0.951 -11.841 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.701 -0.375 -12.821 1.00 0.00 H new ATOM 0 HG SER A 67 -11.415 1.006 -12.084 1.00 0.00 H new ATOM 688 N SER A 68 -7.333 -1.976 -12.162 1.00 0.00 N ATOM 689 CA SER A 68 -5.957 -2.237 -12.557 1.00 0.00 C ATOM 690 C SER A 68 -5.410 -1.058 -13.365 1.00 0.00 C ATOM 691 O SER A 68 -5.050 -1.190 -14.535 1.00 0.00 O ATOM 692 CB SER A 68 -5.884 -3.536 -13.359 1.00 0.00 C ATOM 693 OG SER A 68 -6.444 -4.619 -12.624 1.00 0.00 O ATOM 0 H SER A 68 -8.034 -2.461 -12.722 1.00 0.00 H new ATOM 0 HA SER A 68 -5.340 -2.351 -11.665 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.418 -3.416 -14.302 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.846 -3.757 -13.606 1.00 0.00 H new ATOM 0 HG SER A 68 -6.307 -4.469 -11.665 1.00 0.00 H new ATOM 699 N LYS A 69 -5.368 0.096 -12.719 1.00 0.00 N ATOM 700 CA LYS A 69 -4.958 1.341 -13.341 1.00 0.00 C ATOM 701 C LYS A 69 -4.483 2.302 -12.262 1.00 0.00 C ATOM 702 O LYS A 69 -4.928 2.213 -11.117 1.00 0.00 O ATOM 703 CB LYS A 69 -6.149 1.952 -14.099 1.00 0.00 C ATOM 704 CG LYS A 69 -5.959 3.410 -14.496 1.00 0.00 C ATOM 705 CD LYS A 69 -7.232 4.006 -15.072 1.00 0.00 C ATOM 706 CE LYS A 69 -7.104 5.508 -15.268 1.00 0.00 C ATOM 707 NZ LYS A 69 -5.958 5.863 -16.147 1.00 0.00 N ATOM 0 H LYS A 69 -5.621 0.194 -11.736 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.146 1.155 -14.044 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.332 1.364 -14.998 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.041 1.870 -13.477 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.649 3.987 -13.625 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.157 3.486 -15.230 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.458 3.531 -16.027 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.068 3.795 -14.405 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.026 5.896 -15.701 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.979 5.990 -14.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.007 6.873 -16.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.066 5.670 -15.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.999 5.295 -17.017 1.00 0.00 H new ATOM 720 N GLN A 70 -3.577 3.202 -12.614 1.00 0.00 N ATOM 721 CA GLN A 70 -3.150 4.237 -11.687 1.00 0.00 C ATOM 722 C GLN A 70 -4.243 5.300 -11.573 1.00 0.00 C ATOM 723 O GLN A 70 -4.226 6.306 -12.285 1.00 0.00 O ATOM 724 CB GLN A 70 -1.829 4.872 -12.149 1.00 0.00 C ATOM 725 CG GLN A 70 -1.326 5.969 -11.223 1.00 0.00 C ATOM 726 CD GLN A 70 -0.147 6.734 -11.794 1.00 0.00 C ATOM 727 OE1 GLN A 70 0.007 7.927 -11.543 1.00 0.00 O ATOM 728 NE2 GLN A 70 0.704 6.056 -12.548 1.00 0.00 N ATOM 0 H GLN A 70 -3.126 3.236 -13.528 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.981 3.788 -10.708 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.069 4.095 -12.225 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.964 5.285 -13.149 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.139 6.666 -11.019 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.038 5.527 -10.269 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.543 5.066 -12.735 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.520 6.523 -12.942 1.00 0.00 H new ATOM 737 N TRP A 71 -5.211 5.053 -10.701 1.00 0.00 N ATOM 738 CA TRP A 71 -6.307 5.989 -10.497 1.00 0.00 C ATOM 739 C TRP A 71 -5.865 7.078 -9.527 1.00 0.00 C ATOM 740 O TRP A 71 -5.183 6.796 -8.538 1.00 0.00 O ATOM 741 CB TRP A 71 -7.543 5.259 -9.961 1.00 0.00 C ATOM 742 CG TRP A 71 -8.836 5.827 -10.467 1.00 0.00 C ATOM 743 CD1 TRP A 71 -9.507 5.444 -11.593 1.00 0.00 C ATOM 744 CD2 TRP A 71 -9.612 6.877 -9.876 1.00 0.00 C ATOM 745 NE1 TRP A 71 -10.649 6.192 -11.739 1.00 0.00 N ATOM 746 CE2 TRP A 71 -10.737 7.076 -10.697 1.00 0.00 C ATOM 747 CE3 TRP A 71 -9.466 7.667 -8.735 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -11.708 8.033 -10.411 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -10.431 8.616 -8.452 1.00 0.00 C ATOM 750 CH2 TRP A 71 -11.539 8.790 -9.287 1.00 0.00 C ATOM 0 H TRP A 71 -5.259 4.213 -10.124 1.00 0.00 H new ATOM 0 HA TRP A 71 -6.573 6.445 -11.450 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -7.483 4.207 -10.239 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.537 5.302 -8.872 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -9.186 4.666 -12.270 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.322 6.104 -12.500 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.614 7.539 -8.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.564 8.171 -11.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.327 9.233 -7.572 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.276 9.539 -9.038 1.00 0.00 H new ATOM 761 N GLU A 72 -6.238 8.315 -9.810 1.00 0.00 N ATOM 762 CA GLU A 72 -5.797 9.439 -9.003 1.00 0.00 C ATOM 763 C GLU A 72 -6.679 9.633 -7.772 1.00 0.00 C ATOM 764 O GLU A 72 -7.429 10.603 -7.668 1.00 0.00 O ATOM 765 CB GLU A 72 -5.742 10.718 -9.838 1.00 0.00 C ATOM 766 CG GLU A 72 -4.664 10.688 -10.912 1.00 0.00 C ATOM 767 CD GLU A 72 -4.400 12.051 -11.513 1.00 0.00 C ATOM 768 OE1 GLU A 72 -5.185 12.492 -12.372 1.00 0.00 O ATOM 769 OE2 GLU A 72 -3.397 12.690 -11.123 1.00 0.00 O ATOM 0 H GLU A 72 -6.844 8.565 -10.591 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.791 9.213 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.711 10.878 -10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.565 11.567 -9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.740 10.300 -10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.963 9.999 -11.702 1.00 0.00 H new ATOM 776 N ASP A 73 -6.582 8.687 -6.850 1.00 0.00 N ATOM 777 CA ASP A 73 -7.164 8.833 -5.518 1.00 0.00 C ATOM 778 C ASP A 73 -6.099 8.494 -4.471 1.00 0.00 C ATOM 779 O ASP A 73 -6.258 7.569 -3.675 1.00 0.00 O ATOM 780 CB ASP A 73 -8.395 7.922 -5.357 1.00 0.00 C ATOM 781 CG ASP A 73 -9.154 8.174 -4.063 1.00 0.00 C ATOM 782 OD1 ASP A 73 -9.431 9.354 -3.755 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.496 7.197 -3.359 1.00 0.00 O ATOM 0 H ASP A 73 -6.101 7.800 -6.999 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.496 9.862 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.067 8.075 -6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.076 6.880 -5.388 1.00 0.00 H new ATOM 788 N PRO A 74 -4.968 9.228 -4.478 1.00 0.00 N ATOM 789 CA PRO A 74 -3.826 8.921 -3.642 1.00 0.00 C ATOM 790 C PRO A 74 -3.788 9.717 -2.343 1.00 0.00 C ATOM 791 O PRO A 74 -3.087 9.340 -1.404 1.00 0.00 O ATOM 792 CB PRO A 74 -2.657 9.309 -4.545 1.00 0.00 C ATOM 793 CG PRO A 74 -3.186 10.376 -5.459 1.00 0.00 C ATOM 794 CD PRO A 74 -4.692 10.409 -5.306 1.00 0.00 C ATOM 0 HA PRO A 74 -3.828 7.883 -3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.815 9.678 -3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.299 8.450 -5.112 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.755 11.345 -5.206 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.911 10.165 -6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.028 11.327 -4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.197 10.352 -6.270 1.00 0.00 H new ATOM 802 N SER A 75 -4.563 10.794 -2.283 1.00 0.00 N ATOM 803 CA SER A 75 -4.560 11.694 -1.136 1.00 0.00 C ATOM 804 C SER A 75 -5.087 10.997 0.120 1.00 0.00 C ATOM 805 O SER A 75 -5.057 11.558 1.215 1.00 0.00 O ATOM 806 CB SER A 75 -5.400 12.931 -1.450 1.00 0.00 C ATOM 807 OG SER A 75 -5.069 13.453 -2.726 1.00 0.00 O ATOM 0 H SER A 75 -5.208 11.067 -3.024 1.00 0.00 H new ATOM 0 HA SER A 75 -3.531 11.996 -0.939 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.459 12.674 -1.421 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.235 13.692 -0.687 1.00 0.00 H new ATOM 0 HG SER A 75 -5.619 14.243 -2.909 1.00 0.00 H new ATOM 813 N GLN A 76 -5.552 9.767 -0.048 1.00 0.00 N ATOM 814 CA GLN A 76 -6.011 8.952 1.064 1.00 0.00 C ATOM 815 C GLN A 76 -4.844 8.613 1.988 1.00 0.00 C ATOM 816 O GLN A 76 -5.032 8.343 3.170 1.00 0.00 O ATOM 817 CB GLN A 76 -6.638 7.659 0.534 1.00 0.00 C ATOM 818 CG GLN A 76 -7.647 7.884 -0.580 1.00 0.00 C ATOM 819 CD GLN A 76 -8.927 8.548 -0.111 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.947 9.286 0.872 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.004 8.312 -0.830 1.00 0.00 N ATOM 0 H GLN A 76 -5.621 9.309 -0.957 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.757 9.514 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.847 7.004 0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.128 7.139 1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.190 8.500 -1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.891 6.925 -1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.951 7.694 -1.640 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.891 8.747 -0.577 1.00 0.00 H new ATOM 830 N ALA A 77 -3.633 8.648 1.441 1.00 0.00 N ATOM 831 CA ALA A 77 -2.445 8.271 2.189 1.00 0.00 C ATOM 832 C ALA A 77 -1.586 9.488 2.524 1.00 0.00 C ATOM 833 O ALA A 77 -0.386 9.361 2.773 1.00 0.00 O ATOM 834 CB ALA A 77 -1.630 7.254 1.402 1.00 0.00 C ATOM 0 H ALA A 77 -3.451 8.935 0.479 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.769 7.822 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.743 6.979 1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.234 6.365 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.329 7.688 0.449 1.00 0.00 H new ATOM 840 N SER A 78 -2.204 10.666 2.538 1.00 0.00 N ATOM 841 CA SER A 78 -1.479 11.906 2.810 1.00 0.00 C ATOM 842 C SER A 78 -0.789 11.873 4.174 1.00 0.00 C ATOM 843 O SER A 78 0.359 12.302 4.305 1.00 0.00 O ATOM 844 CB SER A 78 -2.423 13.105 2.737 1.00 0.00 C ATOM 845 OG SER A 78 -3.006 13.211 1.450 1.00 0.00 O ATOM 0 H SER A 78 -3.202 10.789 2.365 1.00 0.00 H new ATOM 0 HA SER A 78 -0.709 12.005 2.045 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.206 13.003 3.488 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.876 14.019 2.969 1.00 0.00 H new ATOM 0 HG SER A 78 -3.818 12.663 1.413 1.00 0.00 H new ATOM 851 N LYS A 79 -1.480 11.347 5.182 1.00 0.00 N ATOM 852 CA LYS A 79 -0.937 11.319 6.534 1.00 0.00 C ATOM 853 C LYS A 79 0.287 10.407 6.612 1.00 0.00 C ATOM 854 O LYS A 79 1.200 10.648 7.405 1.00 0.00 O ATOM 855 CB LYS A 79 -2.002 10.869 7.540 1.00 0.00 C ATOM 856 CG LYS A 79 -1.585 11.069 8.987 1.00 0.00 C ATOM 857 CD LYS A 79 -2.716 10.754 9.951 1.00 0.00 C ATOM 858 CE LYS A 79 -2.398 11.249 11.353 1.00 0.00 C ATOM 859 NZ LYS A 79 -2.095 12.705 11.360 1.00 0.00 N ATOM 0 H LYS A 79 -2.410 10.938 5.088 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.627 12.332 6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.923 11.422 7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.224 9.815 7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.730 10.431 9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.261 12.099 9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.637 11.218 9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.889 9.678 9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.243 11.049 12.011 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.546 10.697 11.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.281 13.094 12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.095 12.853 11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.697 13.188 10.663 1.00 0.00 H new ATOM 872 N VAL A 80 0.313 9.374 5.777 1.00 0.00 N ATOM 873 CA VAL A 80 1.451 8.467 5.726 1.00 0.00 C ATOM 874 C VAL A 80 2.686 9.209 5.230 1.00 0.00 C ATOM 875 O VAL A 80 3.719 9.224 5.898 1.00 0.00 O ATOM 876 CB VAL A 80 1.175 7.243 4.818 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.414 6.366 4.691 1.00 0.00 C ATOM 878 CG2 VAL A 80 0.004 6.430 5.357 1.00 0.00 C ATOM 0 H VAL A 80 -0.440 9.145 5.128 1.00 0.00 H new ATOM 0 HA VAL A 80 1.623 8.098 6.737 1.00 0.00 H new ATOM 0 HB VAL A 80 0.916 7.612 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.192 5.514 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.228 6.947 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.710 6.009 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.175 5.574 4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.237 6.079 6.362 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.889 7.055 5.389 1.00 0.00 H new ATOM 888 N CYS A 81 2.559 9.856 4.074 1.00 0.00 N ATOM 889 CA CYS A 81 3.660 10.630 3.508 1.00 0.00 C ATOM 890 C CYS A 81 4.080 11.732 4.475 1.00 0.00 C ATOM 891 O CYS A 81 5.267 11.999 4.654 1.00 0.00 O ATOM 892 CB CYS A 81 3.249 11.248 2.166 1.00 0.00 C ATOM 893 SG CYS A 81 2.392 10.096 1.043 1.00 0.00 S ATOM 0 H CYS A 81 1.707 9.860 3.513 1.00 0.00 H new ATOM 0 HA CYS A 81 4.502 9.958 3.343 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.600 12.103 2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.140 11.629 1.667 1.00 0.00 H new ATOM 898 N GLN A 82 3.096 12.350 5.119 1.00 0.00 N ATOM 899 CA GLN A 82 3.345 13.444 6.048 1.00 0.00 C ATOM 900 C GLN A 82 4.179 12.978 7.241 1.00 0.00 C ATOM 901 O GLN A 82 5.068 13.694 7.700 1.00 0.00 O ATOM 902 CB GLN A 82 2.016 14.030 6.530 1.00 0.00 C ATOM 903 CG GLN A 82 2.155 15.351 7.272 1.00 0.00 C ATOM 904 CD GLN A 82 2.832 16.415 6.433 1.00 0.00 C ATOM 905 OE1 GLN A 82 4.052 16.570 6.471 1.00 0.00 O ATOM 906 NE2 GLN A 82 2.047 17.155 5.670 1.00 0.00 N ATOM 0 H GLN A 82 2.111 12.109 5.013 1.00 0.00 H new ATOM 0 HA GLN A 82 3.910 14.215 5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.362 14.175 5.670 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.528 13.307 7.184 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.168 15.702 7.572 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.728 15.193 8.186 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.040 16.994 5.667 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.448 17.887 5.084 1.00 0.00 H new ATOM 915 N ARG A 83 3.897 11.776 7.735 1.00 0.00 N ATOM 916 CA ARG A 83 4.639 11.225 8.868 1.00 0.00 C ATOM 917 C ARG A 83 6.044 10.791 8.461 1.00 0.00 C ATOM 918 O ARG A 83 6.939 10.686 9.296 1.00 0.00 O ATOM 919 CB ARG A 83 3.876 10.059 9.503 1.00 0.00 C ATOM 920 CG ARG A 83 2.752 10.500 10.433 1.00 0.00 C ATOM 921 CD ARG A 83 3.286 11.025 11.766 1.00 0.00 C ATOM 922 NE ARG A 83 4.153 12.196 11.611 1.00 0.00 N ATOM 923 CZ ARG A 83 5.160 12.490 12.432 1.00 0.00 C ATOM 924 NH1 ARG A 83 5.387 11.744 13.503 1.00 0.00 N ATOM 925 NH2 ARG A 83 5.932 13.538 12.187 1.00 0.00 N ATOM 0 H ARG A 83 3.164 11.166 7.372 1.00 0.00 H new ATOM 0 HA ARG A 83 4.740 12.017 9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.459 9.435 8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.577 9.439 10.062 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.163 11.277 9.947 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.082 9.660 10.616 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.447 11.284 12.412 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.841 10.232 12.267 1.00 0.00 H new ATOM 0 HE ARG A 83 3.975 12.824 10.827 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.790 10.941 13.701 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.159 11.972 14.129 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.756 14.121 11.369 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.703 13.762 12.816 1.00 0.00 H new ATOM 938 N LEU A 84 6.236 10.551 7.173 1.00 0.00 N ATOM 939 CA LEU A 84 7.558 10.241 6.648 1.00 0.00 C ATOM 940 C LEU A 84 8.290 11.521 6.245 1.00 0.00 C ATOM 941 O LEU A 84 9.357 11.469 5.629 1.00 0.00 O ATOM 942 CB LEU A 84 7.468 9.286 5.453 1.00 0.00 C ATOM 943 CG LEU A 84 7.439 7.790 5.799 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.196 7.425 6.600 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.515 6.954 4.530 1.00 0.00 C ATOM 0 H LEU A 84 5.495 10.565 6.472 1.00 0.00 H new ATOM 0 HA LEU A 84 8.123 9.747 7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.569 9.527 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.318 9.472 4.797 1.00 0.00 H new ATOM 0 HG LEU A 84 8.309 7.575 6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.209 6.359 6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.182 7.994 7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.305 7.661 6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.494 5.896 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.665 7.188 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.441 7.179 4.001 1.00 0.00 H new ATOM 957 N ASN A 85 7.704 12.668 6.614 1.00 0.00 N ATOM 958 CA ASN A 85 8.271 13.987 6.315 1.00 0.00 C ATOM 959 C ASN A 85 8.294 14.246 4.815 1.00 0.00 C ATOM 960 O ASN A 85 9.260 14.781 4.272 1.00 0.00 O ATOM 961 CB ASN A 85 9.676 14.137 6.906 1.00 0.00 C ATOM 962 CG ASN A 85 9.675 14.147 8.422 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.719 14.595 9.053 1.00 0.00 O ATOM 964 ND2 ASN A 85 10.747 13.655 9.017 1.00 0.00 N ATOM 0 H ASN A 85 6.824 12.706 7.128 1.00 0.00 H new ATOM 0 HA ASN A 85 7.627 14.732 6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.304 13.319 6.553 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.122 15.062 6.541 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.802 13.637 10.035 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.519 13.293 8.458 1.00 0.00 H new ATOM 971 N CYS A 86 7.220 13.857 4.153 1.00 0.00 N ATOM 972 CA CYS A 86 7.076 14.073 2.726 1.00 0.00 C ATOM 973 C CYS A 86 5.924 15.029 2.454 1.00 0.00 C ATOM 974 O CYS A 86 5.244 15.473 3.381 1.00 0.00 O ATOM 975 CB CYS A 86 6.821 12.746 2.008 1.00 0.00 C ATOM 976 SG CYS A 86 8.097 11.485 2.303 1.00 0.00 S ATOM 0 H CYS A 86 6.427 13.385 4.587 1.00 0.00 H new ATOM 0 HA CYS A 86 8.001 14.508 2.349 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.856 12.352 2.327 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.751 12.933 0.936 1.00 0.00 H new ATOM 981 N GLY A 87 5.715 15.345 1.191 1.00 0.00 N ATOM 982 CA GLY A 87 4.601 16.178 0.814 1.00 0.00 C ATOM 983 C GLY A 87 3.368 15.359 0.492 1.00 0.00 C ATOM 984 O GLY A 87 3.089 14.356 1.151 1.00 0.00 O ATOM 0 H GLY A 87 6.301 15.037 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.375 16.871 1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.874 16.779 -0.053 1.00 0.00 H new ATOM 988 N ASP A 88 2.640 15.781 -0.526 1.00 0.00 N ATOM 989 CA ASP A 88 1.424 15.092 -0.938 1.00 0.00 C ATOM 990 C ASP A 88 1.754 13.820 -1.716 1.00 0.00 C ATOM 991 O ASP A 88 2.795 13.729 -2.376 1.00 0.00 O ATOM 992 CB ASP A 88 0.554 16.007 -1.806 1.00 0.00 C ATOM 993 CG ASP A 88 0.071 17.239 -1.068 1.00 0.00 C ATOM 994 OD1 ASP A 88 0.797 18.259 -1.067 1.00 0.00 O ATOM 995 OD2 ASP A 88 -1.042 17.203 -0.503 1.00 0.00 O ATOM 0 H ASP A 88 2.869 16.602 -1.087 1.00 0.00 H new ATOM 0 HA ASP A 88 0.875 14.822 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.123 16.315 -2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.308 15.445 -2.167 1.00 0.00 H new ATOM 1000 N PRO A 89 0.873 12.814 -1.623 1.00 0.00 N ATOM 1001 CA PRO A 89 0.999 11.575 -2.381 1.00 0.00 C ATOM 1002 C PRO A 89 0.547 11.752 -3.830 1.00 0.00 C ATOM 1003 O PRO A 89 -0.619 12.027 -4.101 1.00 0.00 O ATOM 1004 CB PRO A 89 0.085 10.604 -1.635 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.933 11.456 -0.956 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.314 12.814 -0.752 1.00 0.00 C ATOM 0 HA PRO A 89 2.030 11.228 -2.444 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.387 9.902 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.647 10.013 -0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.836 11.532 -1.561 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.225 11.019 -0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.006 13.611 -1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.041 12.973 0.291 1.00 0.00 H new ATOM 1014 N LEU A 90 1.483 11.589 -4.751 1.00 0.00 N ATOM 1015 CA LEU A 90 1.234 11.822 -6.165 1.00 0.00 C ATOM 1016 C LEU A 90 0.469 10.660 -6.785 1.00 0.00 C ATOM 1017 O LEU A 90 -0.529 10.852 -7.480 1.00 0.00 O ATOM 1018 CB LEU A 90 2.562 12.006 -6.899 1.00 0.00 C ATOM 1019 CG LEU A 90 3.432 13.164 -6.405 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.786 13.144 -7.101 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.732 14.499 -6.633 1.00 0.00 C ATOM 0 H LEU A 90 2.436 11.292 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 90 0.630 12.724 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.135 11.082 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.354 12.157 -7.958 1.00 0.00 H new ATOM 0 HG LEU A 90 3.591 13.042 -5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.393 13.974 -6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.292 12.203 -6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.643 13.241 -8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.368 15.309 -6.275 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.540 14.632 -7.698 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.787 14.512 -6.090 1.00 0.00 H new ATOM 1033 N SER A 91 0.944 9.457 -6.523 1.00 0.00 N ATOM 1034 CA SER A 91 0.367 8.269 -7.120 1.00 0.00 C ATOM 1035 C SER A 91 0.200 7.163 -6.085 1.00 0.00 C ATOM 1036 O SER A 91 1.001 7.040 -5.155 1.00 0.00 O ATOM 1037 CB SER A 91 1.248 7.797 -8.281 1.00 0.00 C ATOM 1038 OG SER A 91 2.619 7.849 -7.926 1.00 0.00 O ATOM 0 H SER A 91 1.730 9.277 -5.899 1.00 0.00 H new ATOM 0 HA SER A 91 -0.624 8.515 -7.502 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.978 6.778 -8.557 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.070 8.422 -9.156 1.00 0.00 H new ATOM 0 HG SER A 91 3.164 7.542 -8.680 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.855 6.377 -6.249 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.152 5.274 -5.348 1.00 0.00 C ATOM 1046 C LEU A 92 -1.899 4.198 -6.132 1.00 0.00 C ATOM 1047 O LEU A 92 -3.116 4.280 -6.311 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.998 5.787 -4.168 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.050 4.900 -2.911 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.694 5.658 -1.760 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.820 3.615 -3.170 1.00 0.00 C ATOM 0 H LEU A 92 -1.527 6.486 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.233 4.849 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.616 6.766 -3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.018 5.935 -4.521 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.025 4.638 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.725 5.020 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.110 6.552 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.709 5.945 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.837 3.012 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.841 3.856 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.334 3.054 -3.969 1.00 0.00 H new ATOM 1063 N GLY A 93 -1.163 3.214 -6.625 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.768 2.167 -7.431 1.00 0.00 C ATOM 1065 C GLY A 93 -0.736 1.199 -7.976 1.00 0.00 C ATOM 1066 O GLY A 93 0.375 1.140 -7.451 1.00 0.00 O ATOM 0 H GLY A 93 -0.157 3.119 -6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.494 1.621 -6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.315 2.618 -8.259 1.00 0.00 H new ATOM 1070 N PRO A 94 -1.071 0.424 -9.030 1.00 0.00 N ATOM 1071 CA PRO A 94 -0.135 -0.531 -9.643 1.00 0.00 C ATOM 1072 C PRO A 94 1.159 0.149 -10.079 1.00 0.00 C ATOM 1073 O PRO A 94 1.157 1.002 -10.973 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.905 -1.060 -10.859 1.00 0.00 C ATOM 1075 CG PRO A 94 -2.341 -0.840 -10.531 1.00 0.00 C ATOM 1076 CD PRO A 94 -2.384 0.416 -9.703 1.00 0.00 C ATOM 0 HA PRO A 94 0.169 -1.316 -8.950 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.622 -0.528 -11.767 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.696 -2.116 -11.029 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.937 -0.732 -11.437 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.750 -1.686 -9.979 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.524 1.302 -10.323 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.204 0.397 -8.985 1.00 0.00 H new ATOM 1084 N PHE A 95 2.262 -0.211 -9.437 1.00 0.00 N ATOM 1085 CA PHE A 95 3.522 0.465 -9.688 1.00 0.00 C ATOM 1086 C PHE A 95 4.583 -0.491 -10.232 1.00 0.00 C ATOM 1087 O PHE A 95 5.292 -0.158 -11.183 1.00 0.00 O ATOM 1088 CB PHE A 95 4.015 1.126 -8.401 1.00 0.00 C ATOM 1089 CG PHE A 95 4.980 2.255 -8.627 1.00 0.00 C ATOM 1090 CD1 PHE A 95 4.513 3.530 -8.912 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.349 2.048 -8.547 1.00 0.00 C ATOM 1092 CE1 PHE A 95 5.393 4.576 -9.113 1.00 0.00 C ATOM 1093 CE2 PHE A 95 7.233 3.091 -8.749 1.00 0.00 C ATOM 1094 CZ PHE A 95 6.754 4.356 -9.031 1.00 0.00 C ATOM 0 H PHE A 95 2.308 -0.960 -8.746 1.00 0.00 H new ATOM 0 HA PHE A 95 3.350 1.226 -10.449 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.156 1.501 -7.845 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.494 0.371 -7.777 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.450 3.707 -8.977 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.728 1.062 -8.325 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.017 5.564 -9.334 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.297 2.917 -8.686 1.00 0.00 H new ATOM 0 HZ PHE A 95 7.444 5.172 -9.187 1.00 0.00 H new ATOM 1104 N LEU A 96 4.685 -1.681 -9.646 1.00 0.00 N ATOM 1105 CA LEU A 96 5.775 -2.594 -9.984 1.00 0.00 C ATOM 1106 C LEU A 96 5.283 -4.017 -10.221 1.00 0.00 C ATOM 1107 O LEU A 96 4.346 -4.484 -9.566 1.00 0.00 O ATOM 1108 CB LEU A 96 6.827 -2.596 -8.870 1.00 0.00 C ATOM 1109 CG LEU A 96 7.580 -1.275 -8.681 1.00 0.00 C ATOM 1110 CD1 LEU A 96 8.529 -1.359 -7.498 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.349 -0.911 -9.945 1.00 0.00 C ATOM 0 H LEU A 96 4.035 -2.033 -8.943 1.00 0.00 H new ATOM 0 HA LEU A 96 6.217 -2.235 -10.913 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.338 -2.854 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.552 -3.382 -9.079 1.00 0.00 H new ATOM 0 HG LEU A 96 6.846 -0.494 -8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.052 -0.410 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.963 -1.573 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.254 -2.155 -7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.877 0.030 -9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.068 -1.698 -10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.652 -0.804 -10.777 1.00 0.00 H new ATOM 1123 N LYS A 97 5.932 -4.700 -11.157 1.00 0.00 N ATOM 1124 CA LYS A 97 5.651 -6.106 -11.429 1.00 0.00 C ATOM 1125 C LYS A 97 6.561 -6.987 -10.579 1.00 0.00 C ATOM 1126 O LYS A 97 7.558 -7.524 -11.062 1.00 0.00 O ATOM 1127 CB LYS A 97 5.858 -6.432 -12.913 1.00 0.00 C ATOM 1128 CG LYS A 97 4.940 -5.667 -13.856 1.00 0.00 C ATOM 1129 CD LYS A 97 5.191 -6.057 -15.303 1.00 0.00 C ATOM 1130 CE LYS A 97 4.306 -5.274 -16.255 1.00 0.00 C ATOM 1131 NZ LYS A 97 4.583 -5.618 -17.673 1.00 0.00 N ATOM 0 H LYS A 97 6.663 -4.299 -11.745 1.00 0.00 H new ATOM 0 HA LYS A 97 4.609 -6.301 -11.176 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.893 -6.218 -13.179 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.705 -7.501 -13.063 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.900 -5.867 -13.598 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.098 -4.596 -13.733 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.238 -5.882 -15.551 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.008 -7.124 -15.430 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.259 -5.478 -16.029 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.463 -4.206 -16.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.959 -5.063 -18.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.575 -5.400 -17.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.409 -6.632 -17.825 1.00 0.00 H new ATOM 1144 N THR A 98 6.216 -7.120 -9.311 1.00 0.00 N ATOM 1145 CA THR A 98 7.036 -7.853 -8.362 1.00 0.00 C ATOM 1146 C THR A 98 6.784 -9.352 -8.434 1.00 0.00 C ATOM 1147 O THR A 98 7.732 -10.135 -8.511 1.00 0.00 O ATOM 1148 CB THR A 98 6.750 -7.358 -6.938 1.00 0.00 C ATOM 1149 OG1 THR A 98 5.334 -7.161 -6.784 1.00 0.00 O ATOM 1150 CG2 THR A 98 7.496 -6.061 -6.656 1.00 0.00 C ATOM 0 H THR A 98 5.365 -6.726 -8.911 1.00 0.00 H new ATOM 0 HA THR A 98 8.079 -7.673 -8.621 1.00 0.00 H new ATOM 0 HB THR A 98 7.096 -8.106 -6.225 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.170 -6.310 -6.327 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.278 -5.729 -5.641 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.568 -6.228 -6.761 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.177 -5.296 -7.364 1.00 0.00 H new ATOM 1158 N TYR A 99 5.511 -9.738 -8.413 1.00 0.00 N ATOM 1159 CA TYR A 99 5.124 -11.149 -8.433 1.00 0.00 C ATOM 1160 C TYR A 99 5.808 -11.918 -7.299 1.00 0.00 C ATOM 1161 O TYR A 99 6.530 -12.887 -7.532 1.00 0.00 O ATOM 1162 CB TYR A 99 5.464 -11.794 -9.784 1.00 0.00 C ATOM 1163 CG TYR A 99 4.773 -11.153 -10.970 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.399 -11.269 -11.146 1.00 0.00 C ATOM 1165 CD2 TYR A 99 5.496 -10.442 -11.922 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.768 -10.695 -12.232 1.00 0.00 C ATOM 1167 CE2 TYR A 99 4.869 -9.865 -13.009 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.506 -9.994 -13.159 1.00 0.00 C ATOM 1169 OH TYR A 99 2.879 -9.422 -14.242 1.00 0.00 O ATOM 0 H TYR A 99 4.724 -9.090 -8.382 1.00 0.00 H new ATOM 0 HA TYR A 99 4.045 -11.198 -8.287 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.542 -11.745 -9.936 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.195 -12.850 -9.748 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.815 -11.817 -10.421 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.565 -10.339 -11.809 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.700 -10.796 -12.354 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.445 -9.315 -13.738 1.00 0.00 H new ATOM 0 HH TYR A 99 3.542 -8.963 -14.799 1.00 0.00 H new ATOM 1179 N THR A 100 5.593 -11.468 -6.074 1.00 0.00 N ATOM 1180 CA THR A 100 6.133 -12.143 -4.904 1.00 0.00 C ATOM 1181 C THR A 100 4.987 -12.714 -4.063 1.00 0.00 C ATOM 1182 O THR A 100 4.532 -12.085 -3.107 1.00 0.00 O ATOM 1183 CB THR A 100 6.983 -11.173 -4.057 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.913 -10.486 -4.904 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.747 -11.914 -2.968 1.00 0.00 C ATOM 0 H THR A 100 5.045 -10.634 -5.863 1.00 0.00 H new ATOM 0 HA THR A 100 6.776 -12.958 -5.236 1.00 0.00 H new ATOM 0 HB THR A 100 6.310 -10.460 -3.581 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.451 -9.869 -4.366 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.336 -11.203 -2.389 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.042 -12.422 -2.310 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.411 -12.648 -3.425 1.00 0.00 H new ATOM 1193 N PRO A 101 4.501 -13.917 -4.416 1.00 0.00 N ATOM 1194 CA PRO A 101 3.304 -14.513 -3.815 1.00 0.00 C ATOM 1195 C PRO A 101 3.564 -15.161 -2.456 1.00 0.00 C ATOM 1196 O PRO A 101 2.999 -16.213 -2.145 1.00 0.00 O ATOM 1197 CB PRO A 101 2.881 -15.586 -4.834 1.00 0.00 C ATOM 1198 CG PRO A 101 3.861 -15.501 -5.965 1.00 0.00 C ATOM 1199 CD PRO A 101 5.075 -14.806 -5.426 1.00 0.00 C ATOM 0 HA PRO A 101 2.547 -13.753 -3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.894 -16.578 -4.382 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.865 -15.409 -5.186 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.115 -16.495 -6.334 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.438 -14.948 -6.804 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.787 -15.508 -4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 101 5.605 -14.253 -6.201 1.00 0.00 H new ATOM 1207 N GLN A 102 4.422 -14.542 -1.659 1.00 0.00 N ATOM 1208 CA GLN A 102 4.696 -15.024 -0.308 1.00 0.00 C ATOM 1209 C GLN A 102 4.359 -13.951 0.720 1.00 0.00 C ATOM 1210 O GLN A 102 3.687 -14.215 1.717 1.00 0.00 O ATOM 1211 CB GLN A 102 6.165 -15.438 -0.139 1.00 0.00 C ATOM 1212 CG GLN A 102 6.608 -16.596 -1.021 1.00 0.00 C ATOM 1213 CD GLN A 102 6.918 -16.177 -2.444 1.00 0.00 C ATOM 1214 OE1 GLN A 102 7.317 -15.043 -2.695 1.00 0.00 O ATOM 1215 NE2 GLN A 102 6.741 -17.089 -3.385 1.00 0.00 N ATOM 0 H GLN A 102 4.942 -13.705 -1.922 1.00 0.00 H new ATOM 0 HA GLN A 102 4.068 -15.900 -0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.797 -14.576 -0.351 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.334 -15.709 0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.493 -17.059 -0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.825 -17.354 -1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.408 -18.020 -3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.938 -16.861 -4.360 1.00 0.00 H new ATOM 1224 N SER A 103 4.832 -12.741 0.471 1.00 0.00 N ATOM 1225 CA SER A 103 4.647 -11.643 1.404 1.00 0.00 C ATOM 1226 C SER A 103 3.598 -10.652 0.909 1.00 0.00 C ATOM 1227 O SER A 103 3.404 -9.594 1.507 1.00 0.00 O ATOM 1228 CB SER A 103 5.984 -10.935 1.613 1.00 0.00 C ATOM 1229 OG SER A 103 6.618 -10.685 0.367 1.00 0.00 O ATOM 0 H SER A 103 5.349 -12.494 -0.373 1.00 0.00 H new ATOM 0 HA SER A 103 4.288 -12.050 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.825 -9.995 2.141 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.632 -11.547 2.240 1.00 0.00 H new ATOM 0 HG SER A 103 6.409 -9.775 0.070 1.00 0.00 H new ATOM 1235 N SER A 104 2.921 -10.994 -0.177 1.00 0.00 N ATOM 1236 CA SER A 104 1.935 -10.099 -0.768 1.00 0.00 C ATOM 1237 C SER A 104 0.526 -10.418 -0.267 1.00 0.00 C ATOM 1238 O SER A 104 0.172 -11.583 -0.061 1.00 0.00 O ATOM 1239 CB SER A 104 1.997 -10.191 -2.293 1.00 0.00 C ATOM 1240 OG SER A 104 1.963 -11.542 -2.721 1.00 0.00 O ATOM 0 H SER A 104 3.035 -11.882 -0.666 1.00 0.00 H new ATOM 0 HA SER A 104 2.171 -9.079 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.159 -9.646 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.909 -9.714 -2.653 1.00 0.00 H new ATOM 0 HG SER A 104 2.866 -11.920 -2.682 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.270 -9.377 -0.058 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.634 -9.542 0.423 1.00 0.00 C ATOM 1248 C ILE A 105 -2.617 -8.715 -0.402 1.00 0.00 C ATOM 1249 O ILE A 105 -2.271 -7.659 -0.933 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.779 -9.144 1.914 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.248 -7.724 2.146 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.072 -10.151 2.814 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.403 -7.228 3.568 1.00 0.00 C ATOM 0 H ILE A 105 0.007 -8.408 -0.215 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.866 -10.602 0.317 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.838 -9.154 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.192 -7.694 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.768 -7.040 1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.187 -9.851 3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.510 -11.138 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.012 -10.184 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.003 -6.217 3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.459 -7.222 3.838 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.859 -7.887 4.245 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.834 -9.218 -0.509 1.00 0.00 N ATOM 1266 CA ILE A 106 -4.931 -8.499 -1.139 1.00 0.00 C ATOM 1267 C ILE A 106 -6.005 -8.249 -0.091 1.00 0.00 C ATOM 1268 O ILE A 106 -6.545 -9.194 0.484 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.522 -9.282 -2.338 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.579 -9.204 -3.540 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -6.905 -8.756 -2.708 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.022 -10.039 -4.725 1.00 0.00 C ATOM 0 H ILE A 106 -4.092 -10.141 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.554 -7.555 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.628 -10.326 -2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.492 -8.164 -3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.585 -9.528 -3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.296 -9.323 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.576 -8.865 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.833 -7.703 -2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.302 -9.931 -5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.081 -11.087 -4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.002 -9.701 -5.062 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.298 -6.992 0.181 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.162 -6.662 1.302 1.00 0.00 C ATOM 1286 C CYS A 107 -8.556 -6.255 0.840 1.00 0.00 C ATOM 1287 O CYS A 107 -8.749 -5.845 -0.305 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.532 -5.555 2.148 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.096 -5.554 3.878 1.00 0.00 S ATOM 0 H CYS A 107 -5.957 -6.191 -0.350 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.270 -7.558 1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.448 -5.665 2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -6.763 -4.589 1.698 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.526 -6.387 1.738 1.00 0.00 N ATOM 1295 CA TYR A 108 -10.906 -6.053 1.436 1.00 0.00 C ATOM 1296 C TYR A 108 -11.494 -5.162 2.522 1.00 0.00 C ATOM 1297 O TYR A 108 -10.904 -5.001 3.593 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.746 -7.323 1.284 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.420 -8.119 0.040 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.823 -7.670 -1.209 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.716 -9.316 0.113 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.538 -8.388 -2.352 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.425 -10.040 -1.028 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.839 -9.571 -2.258 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.558 -10.291 -3.398 1.00 0.00 O ATOM 0 H TYR A 108 -9.376 -6.726 2.688 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.924 -5.508 0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.596 -7.955 2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.801 -7.051 1.265 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.370 -6.742 -1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.392 -9.685 1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.862 -8.024 -3.316 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.877 -10.968 -0.957 1.00 0.00 H new ATOM 0 HH TYR A 108 -10.058 -11.099 -3.159 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.658 -4.592 2.239 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.285 -3.670 3.163 1.00 0.00 C ATOM 1317 C GLY A 109 -13.439 -2.297 2.548 1.00 0.00 C ATOM 1318 O GLY A 109 -13.572 -2.173 1.329 1.00 0.00 O ATOM 0 H GLY A 109 -13.182 -4.754 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.263 -4.052 3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.687 -3.599 4.072 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.427 -1.267 3.382 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.468 0.106 2.892 1.00 0.00 C ATOM 1324 C GLN A 110 -12.098 0.467 2.326 1.00 0.00 C ATOM 1325 O GLN A 110 -11.078 0.002 2.830 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.849 1.065 4.029 1.00 0.00 C ATOM 1327 CG GLN A 110 -14.798 2.187 3.613 1.00 0.00 C ATOM 1328 CD GLN A 110 -14.218 3.105 2.555 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -14.368 2.868 1.353 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -13.560 4.166 2.991 1.00 0.00 N ATOM 0 H GLN A 110 -13.389 -1.354 4.398 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.221 0.195 2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.313 0.492 4.832 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -12.939 1.507 4.436 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.723 1.750 3.237 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.059 2.777 4.492 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.458 4.327 3.993 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -13.155 4.824 2.325 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.083 1.272 1.269 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.843 1.668 0.612 1.00 0.00 C ATOM 1341 C LEU A 111 -9.933 2.394 1.598 1.00 0.00 C ATOM 1342 O LEU A 111 -10.149 3.564 1.917 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.158 2.555 -0.607 1.00 0.00 C ATOM 1344 CG LEU A 111 -10.030 2.731 -1.641 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -10.593 3.284 -2.941 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -8.940 3.659 -1.123 1.00 0.00 C ATOM 0 H LEU A 111 -12.924 1.666 0.846 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.320 0.778 0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -12.026 2.137 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.446 3.542 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.589 1.750 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.787 3.404 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.337 2.593 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -11.059 4.251 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.160 3.761 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.368 4.638 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.511 3.243 -0.211 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.922 1.683 2.078 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.007 2.246 3.051 1.00 0.00 C ATOM 1360 C GLY A 112 -8.028 1.478 4.356 1.00 0.00 C ATOM 1361 O GLY A 112 -7.179 1.684 5.224 1.00 0.00 O ATOM 0 H GLY A 112 -8.718 0.720 1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.996 2.242 2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.271 3.287 3.238 1.00 0.00 H new ATOM 1365 N SER A 113 -9.000 0.588 4.492 1.00 0.00 N ATOM 1366 CA SER A 113 -9.145 -0.199 5.697 1.00 0.00 C ATOM 1367 C SER A 113 -8.565 -1.595 5.492 1.00 0.00 C ATOM 1368 O SER A 113 -8.996 -2.341 4.612 1.00 0.00 O ATOM 1369 CB SER A 113 -10.619 -0.289 6.090 1.00 0.00 C ATOM 1370 OG SER A 113 -10.769 -0.616 7.459 1.00 0.00 O ATOM 0 H SER A 113 -9.701 0.396 3.776 1.00 0.00 H new ATOM 0 HA SER A 113 -8.596 0.289 6.503 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.110 0.662 5.886 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.115 -1.042 5.478 1.00 0.00 H new ATOM 0 HG SER A 113 -11.722 -0.665 7.681 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.591 -1.934 6.313 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.925 -3.226 6.255 1.00 0.00 C ATOM 1378 C PHE A 114 -7.544 -4.180 7.268 1.00 0.00 C ATOM 1379 O PHE A 114 -6.841 -4.930 7.946 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.429 -3.059 6.544 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.705 -2.216 5.530 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.184 -2.788 4.380 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.539 -0.852 5.731 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.517 -2.016 3.448 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.872 -0.077 4.802 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.359 -0.660 3.659 1.00 0.00 C ATOM 0 H PHE A 114 -7.235 -1.319 7.045 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.050 -3.641 5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.307 -2.610 7.530 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.964 -4.044 6.583 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.301 -3.848 4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.936 -0.392 6.624 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.119 -2.473 2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.752 0.983 4.969 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.836 -0.057 2.932 1.00 0.00 H new ATOM 1396 N SER A 115 -8.865 -4.139 7.368 1.00 0.00 N ATOM 1397 CA SER A 115 -9.587 -4.936 8.350 1.00 0.00 C ATOM 1398 C SER A 115 -9.398 -6.430 8.085 1.00 0.00 C ATOM 1399 O SER A 115 -9.015 -7.182 8.979 1.00 0.00 O ATOM 1400 CB SER A 115 -11.075 -4.575 8.336 1.00 0.00 C ATOM 1401 OG SER A 115 -11.785 -5.239 9.371 1.00 0.00 O ATOM 0 H SER A 115 -9.461 -3.559 6.778 1.00 0.00 H new ATOM 0 HA SER A 115 -9.181 -4.713 9.337 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.189 -3.497 8.450 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.505 -4.841 7.371 1.00 0.00 H new ATOM 0 HG SER A 115 -12.731 -4.985 9.334 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.657 -6.851 6.856 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.488 -8.247 6.481 1.00 0.00 C ATOM 1409 C ASN A 116 -8.718 -8.335 5.176 1.00 0.00 C ATOM 1410 O ASN A 116 -9.252 -8.047 4.102 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.849 -8.948 6.344 1.00 0.00 C ATOM 1412 CG ASN A 116 -10.729 -10.450 6.088 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -9.777 -10.925 5.468 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -11.692 -11.214 6.578 1.00 0.00 N ATOM 0 H ASN A 116 -9.985 -6.247 6.102 1.00 0.00 H new ATOM 0 HA ASN A 116 -8.926 -8.753 7.266 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.427 -8.786 7.254 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.406 -8.490 5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.658 -12.225 6.446 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.468 -10.792 7.087 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.456 -8.704 5.272 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.639 -8.881 4.092 1.00 0.00 C ATOM 1423 C CYS A 117 -6.323 -10.361 3.900 1.00 0.00 C ATOM 1424 O CYS A 117 -6.078 -11.087 4.867 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.345 -8.068 4.202 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.551 -6.389 4.904 1.00 0.00 S ATOM 0 H CYS A 117 -6.977 -8.886 6.154 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.193 -8.520 3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.637 -8.620 4.819 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.902 -7.980 3.210 1.00 0.00 H new ATOM 1431 N SER A 118 -6.346 -10.809 2.657 1.00 0.00 N ATOM 1432 CA SER A 118 -6.104 -12.203 2.344 1.00 0.00 C ATOM 1433 C SER A 118 -4.766 -12.353 1.631 1.00 0.00 C ATOM 1434 O SER A 118 -4.259 -11.403 1.033 1.00 0.00 O ATOM 1435 CB SER A 118 -7.239 -12.737 1.466 1.00 0.00 C ATOM 1436 OG SER A 118 -7.136 -14.141 1.289 1.00 0.00 O ATOM 0 H SER A 118 -6.531 -10.221 1.844 1.00 0.00 H new ATOM 0 HA SER A 118 -6.070 -12.780 3.268 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.199 -12.495 1.922 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.214 -12.243 0.495 1.00 0.00 H new ATOM 0 HG SER A 118 -7.942 -14.575 1.639 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.189 -13.545 1.711 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.935 -13.832 1.033 1.00 0.00 C ATOM 1444 C HIS A 119 -3.158 -13.800 -0.474 1.00 0.00 C ATOM 1445 O HIS A 119 -4.100 -14.415 -0.976 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.395 -15.198 1.467 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.999 -15.469 0.991 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.649 -16.593 0.274 1.00 0.00 N ATOM 1449 CD2 HIS A 119 0.140 -14.751 1.142 1.00 0.00 C ATOM 1450 CE1 HIS A 119 0.643 -16.557 0.006 1.00 0.00 C ATOM 1451 NE2 HIS A 119 1.143 -15.449 0.520 1.00 0.00 N ATOM 0 H HIS A 119 -4.571 -14.329 2.240 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.198 -13.075 1.302 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.418 -15.260 2.555 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.057 -15.978 1.090 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -1.289 -17.337 -0.006 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.239 -13.806 1.656 1.00 0.00 H new ATOM 0 HE1 HIS A 119 1.196 -17.306 -0.541 1.00 0.00 H new ATOM 1459 N SER A 120 -2.293 -13.077 -1.181 1.00 0.00 N ATOM 1460 CA SER A 120 -2.475 -12.836 -2.607 1.00 0.00 C ATOM 1461 C SER A 120 -2.458 -14.145 -3.391 1.00 0.00 C ATOM 1462 O SER A 120 -1.488 -14.903 -3.342 1.00 0.00 O ATOM 1463 CB SER A 120 -1.391 -11.886 -3.128 1.00 0.00 C ATOM 1464 OG SER A 120 -1.660 -11.480 -4.459 1.00 0.00 O ATOM 0 H SER A 120 -1.457 -12.647 -0.786 1.00 0.00 H new ATOM 0 HA SER A 120 -3.450 -12.370 -2.751 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.332 -11.009 -2.483 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.420 -12.380 -3.085 1.00 0.00 H new ATOM 0 HG SER A 120 -1.037 -10.769 -4.716 1.00 0.00 H new ATOM 1470 N ARG A 121 -3.550 -14.405 -4.099 1.00 0.00 N ATOM 1471 CA ARG A 121 -3.707 -15.631 -4.863 1.00 0.00 C ATOM 1472 C ARG A 121 -4.313 -15.319 -6.227 1.00 0.00 C ATOM 1473 O ARG A 121 -5.461 -15.670 -6.507 1.00 0.00 O ATOM 1474 CB ARG A 121 -4.605 -16.610 -4.106 1.00 0.00 C ATOM 1475 CG ARG A 121 -3.968 -17.185 -2.852 1.00 0.00 C ATOM 1476 CD ARG A 121 -5.008 -17.824 -1.950 1.00 0.00 C ATOM 1477 NE ARG A 121 -5.879 -16.827 -1.329 1.00 0.00 N ATOM 1478 CZ ARG A 121 -7.189 -16.987 -1.164 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -7.790 -18.074 -1.619 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -7.902 -16.058 -0.554 1.00 0.00 N ATOM 0 H ARG A 121 -4.348 -13.773 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 121 -2.727 -16.087 -5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -5.530 -16.102 -3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.876 -17.429 -4.772 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.219 -17.926 -3.129 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.449 -16.395 -2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.612 -18.522 -2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.508 -18.403 -1.174 1.00 0.00 H new ATOM 0 HE ARG A 121 -5.457 -15.957 -1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -7.249 -18.793 -2.098 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -8.795 -18.193 -1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -7.448 -15.213 -0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -8.906 -16.185 -0.430 1.00 0.00 H new ATOM 1493 N ASN A 122 -3.547 -14.647 -7.068 1.00 0.00 N ATOM 1494 CA ASN A 122 -4.034 -14.245 -8.380 1.00 0.00 C ATOM 1495 C ASN A 122 -2.944 -14.478 -9.423 1.00 0.00 C ATOM 1496 O ASN A 122 -1.784 -14.691 -9.064 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.466 -12.768 -8.353 1.00 0.00 C ATOM 1498 CG ASN A 122 -5.444 -12.391 -9.461 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -5.443 -12.971 -10.545 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -6.291 -11.411 -9.192 1.00 0.00 N ATOM 0 H ASN A 122 -2.587 -14.368 -6.868 1.00 0.00 H new ATOM 0 HA ASN A 122 -4.903 -14.846 -8.646 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.924 -12.551 -7.388 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -3.580 -12.139 -8.434 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -6.969 -11.116 -9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -6.266 -10.950 -8.282 1.00 0.00 H new ATOM 1507 N ASP A 123 -3.311 -14.460 -10.694 1.00 0.00 N ATOM 1508 CA ASP A 123 -2.352 -14.657 -11.775 1.00 0.00 C ATOM 1509 C ASP A 123 -1.272 -13.581 -11.737 1.00 0.00 C ATOM 1510 O ASP A 123 -0.075 -13.878 -11.735 1.00 0.00 O ATOM 1511 CB ASP A 123 -3.073 -14.633 -13.121 1.00 0.00 C ATOM 1512 CG ASP A 123 -2.132 -14.802 -14.296 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -1.676 -15.939 -14.535 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -1.866 -13.803 -14.998 1.00 0.00 O ATOM 0 H ASP A 123 -4.271 -14.310 -11.006 1.00 0.00 H new ATOM 0 HA ASP A 123 -1.874 -15.628 -11.644 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.819 -15.427 -13.142 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.609 -13.689 -13.224 1.00 0.00 H new ATOM 1519 N MET A 124 -1.708 -12.333 -11.676 1.00 0.00 N ATOM 1520 CA MET A 124 -0.789 -11.213 -11.595 1.00 0.00 C ATOM 1521 C MET A 124 -1.000 -10.462 -10.286 1.00 0.00 C ATOM 1522 O MET A 124 -2.128 -10.309 -9.818 1.00 0.00 O ATOM 1523 CB MET A 124 -0.964 -10.257 -12.787 1.00 0.00 C ATOM 1524 CG MET A 124 -2.269 -9.471 -12.773 1.00 0.00 C ATOM 1525 SD MET A 124 -2.374 -8.257 -14.104 1.00 0.00 S ATOM 1526 CE MET A 124 -2.317 -9.327 -15.540 1.00 0.00 C ATOM 0 H MET A 124 -2.694 -12.072 -11.681 1.00 0.00 H new ATOM 0 HA MET A 124 0.227 -11.606 -11.627 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.130 -9.555 -12.800 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.910 -10.833 -13.711 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.106 -10.165 -12.854 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.370 -8.961 -11.815 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.652 -8.775 -16.418 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.295 -9.672 -15.696 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.969 -10.186 -15.380 1.00 0.00 H new ATOM 1536 N CYS A 125 0.090 -10.017 -9.687 1.00 0.00 N ATOM 1537 CA CYS A 125 0.019 -9.211 -8.482 1.00 0.00 C ATOM 1538 C CYS A 125 1.034 -8.088 -8.567 1.00 0.00 C ATOM 1539 O CYS A 125 2.242 -8.324 -8.638 1.00 0.00 O ATOM 1540 CB CYS A 125 0.261 -10.063 -7.230 1.00 0.00 C ATOM 1541 SG CYS A 125 0.225 -9.127 -5.661 1.00 0.00 S ATOM 0 H CYS A 125 1.038 -10.201 -10.017 1.00 0.00 H new ATOM 0 HA CYS A 125 -0.982 -8.788 -8.402 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.494 -10.848 -7.188 1.00 0.00 H new ATOM 0 HB3 CYS A 125 1.229 -10.556 -7.323 1.00 0.00 H new ATOM 1546 N HIS A 126 0.532 -6.870 -8.610 1.00 0.00 N ATOM 1547 CA HIS A 126 1.375 -5.692 -8.673 1.00 0.00 C ATOM 1548 C HIS A 126 1.415 -5.037 -7.305 1.00 0.00 C ATOM 1549 O HIS A 126 0.372 -4.839 -6.683 1.00 0.00 O ATOM 1550 CB HIS A 126 0.844 -4.702 -9.719 1.00 0.00 C ATOM 1551 CG HIS A 126 0.945 -5.194 -11.134 1.00 0.00 C ATOM 1552 ND1 HIS A 126 0.473 -6.322 -11.720 1.00 0.00 N flip ATOM 1553 CD2 HIS A 126 1.583 -4.491 -12.134 1.00 0.00 C flip ATOM 1554 CE1 HIS A 126 0.832 -6.275 -13.044 1.00 0.00 C flip ATOM 1555 NE2 HIS A 126 1.501 -5.161 -13.267 1.00 0.00 N flip ATOM 0 H HIS A 126 -0.468 -6.669 -8.602 1.00 0.00 H new ATOM 0 HA HIS A 126 2.382 -5.987 -8.968 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.200 -4.480 -9.496 1.00 0.00 H new ATOM 0 HB3 HIS A 126 1.395 -3.766 -9.631 1.00 0.00 H new ATOM 0 HD2 HIS A 126 2.075 -3.538 -12.009 1.00 0.00 H new ATOM 0 HE1 HIS A 126 0.603 -7.028 -13.783 1.00 0.00 H new ATOM 0 HE2 HIS A 126 1.889 -4.867 -14.163 1.00 0.00 H new ATOM 1563 N SER A 127 2.608 -4.737 -6.821 1.00 0.00 N ATOM 1564 CA SER A 127 2.752 -4.071 -5.538 1.00 0.00 C ATOM 1565 C SER A 127 2.132 -2.683 -5.598 1.00 0.00 C ATOM 1566 O SER A 127 2.349 -1.939 -6.562 1.00 0.00 O ATOM 1567 CB SER A 127 4.225 -3.964 -5.151 1.00 0.00 C ATOM 1568 OG SER A 127 4.822 -5.241 -5.025 1.00 0.00 O ATOM 0 H SER A 127 3.488 -4.943 -7.295 1.00 0.00 H new ATOM 0 HA SER A 127 2.235 -4.663 -4.783 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.759 -3.384 -5.904 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.316 -3.424 -4.209 1.00 0.00 H new ATOM 0 HG SER A 127 5.623 -5.174 -4.464 1.00 0.00 H new ATOM 1574 N LEU A 128 1.345 -2.355 -4.583 1.00 0.00 N ATOM 1575 CA LEU A 128 0.719 -1.048 -4.485 1.00 0.00 C ATOM 1576 C LEU A 128 1.791 0.015 -4.291 1.00 0.00 C ATOM 1577 O LEU A 128 2.408 0.106 -3.228 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.278 -1.025 -3.324 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.153 0.225 -3.227 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.169 0.268 -4.362 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.855 0.272 -1.878 1.00 0.00 C ATOM 0 H LEU A 128 1.125 -2.984 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 128 0.175 -0.838 -5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.928 -1.896 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.276 -1.132 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.511 1.101 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.779 1.167 -4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.646 0.280 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.810 -0.612 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.475 1.167 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.482 -0.612 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.111 0.295 -1.081 1.00 0.00 H new ATOM 1593 N GLY A 129 2.023 0.791 -5.332 1.00 0.00 N ATOM 1594 CA GLY A 129 3.064 1.788 -5.295 1.00 0.00 C ATOM 1595 C GLY A 129 2.574 3.109 -4.758 1.00 0.00 C ATOM 1596 O GLY A 129 1.631 3.694 -5.295 1.00 0.00 O ATOM 0 H GLY A 129 1.504 0.747 -6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.886 1.429 -4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.462 1.932 -6.300 1.00 0.00 H new ATOM 1600 N LEU A 130 3.208 3.574 -3.696 1.00 0.00 N ATOM 1601 CA LEU A 130 2.885 4.863 -3.123 1.00 0.00 C ATOM 1602 C LEU A 130 4.035 5.830 -3.373 1.00 0.00 C ATOM 1603 O LEU A 130 5.169 5.587 -2.953 1.00 0.00 O ATOM 1604 CB LEU A 130 2.612 4.730 -1.620 1.00 0.00 C ATOM 1605 CG LEU A 130 2.211 6.025 -0.912 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.927 6.587 -1.505 1.00 0.00 C ATOM 1607 CD2 LEU A 130 2.049 5.785 0.581 1.00 0.00 C ATOM 0 H LEU A 130 3.953 3.073 -3.213 1.00 0.00 H new ATOM 0 HA LEU A 130 1.983 5.249 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.820 3.996 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.506 4.334 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 130 3.004 6.758 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.660 7.508 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.077 6.797 -2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.124 5.859 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.764 6.716 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.275 5.036 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.992 5.431 0.997 1.00 0.00 H new ATOM 1619 N THR A 131 3.749 6.898 -4.092 1.00 0.00 N ATOM 1620 CA THR A 131 4.757 7.895 -4.411 1.00 0.00 C ATOM 1621 C THR A 131 4.392 9.242 -3.802 1.00 0.00 C ATOM 1622 O THR A 131 3.428 9.877 -4.221 1.00 0.00 O ATOM 1623 CB THR A 131 4.909 8.043 -5.936 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.242 6.771 -6.511 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.979 9.067 -6.297 1.00 0.00 C ATOM 0 H THR A 131 2.823 7.100 -4.469 1.00 0.00 H new ATOM 0 HA THR A 131 5.705 7.560 -3.990 1.00 0.00 H new ATOM 0 HB THR A 131 3.959 8.396 -6.337 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.337 6.866 -7.482 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.058 9.144 -7.381 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.708 10.038 -5.883 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.938 8.752 -5.885 1.00 0.00 H new ATOM 1633 N CYS A 132 5.152 9.668 -2.808 1.00 0.00 N ATOM 1634 CA CYS A 132 4.909 10.950 -2.164 1.00 0.00 C ATOM 1635 C CYS A 132 6.024 11.923 -2.529 1.00 0.00 C ATOM 1636 O CYS A 132 7.160 11.505 -2.758 1.00 0.00 O ATOM 1637 CB CYS A 132 4.839 10.771 -0.642 1.00 0.00 C ATOM 1638 SG CYS A 132 3.873 9.320 -0.108 1.00 0.00 S ATOM 0 H CYS A 132 5.942 9.146 -2.429 1.00 0.00 H new ATOM 0 HA CYS A 132 3.957 11.351 -2.510 1.00 0.00 H new ATOM 0 HB2 CYS A 132 5.852 10.684 -0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.403 11.667 -0.201 1.00 0.00 H new ATOM 1643 N LEU A 133 5.691 13.208 -2.619 1.00 0.00 N ATOM 1644 CA LEU A 133 6.692 14.237 -2.884 1.00 0.00 C ATOM 1645 C LEU A 133 7.770 14.210 -1.807 1.00 0.00 C ATOM 1646 O LEU A 133 7.489 14.469 -0.638 1.00 0.00 O ATOM 1647 CB LEU A 133 6.040 15.622 -2.929 1.00 0.00 C ATOM 1648 CG LEU A 133 5.196 15.914 -4.172 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.412 17.203 -3.990 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.081 16.008 -5.407 1.00 0.00 C ATOM 0 H LEU A 133 4.740 13.560 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 133 7.148 14.032 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.409 15.736 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.824 16.376 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 133 4.492 15.093 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.817 17.396 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.752 17.109 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.104 18.030 -3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.464 16.216 -6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.806 16.811 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.607 15.064 -5.550 1.00 0.00 H new ATOM 1662 N GLU A 134 8.990 13.883 -2.204 1.00 0.00 N ATOM 1663 CA GLU A 134 10.088 13.759 -1.257 1.00 0.00 C ATOM 1664 C GLU A 134 10.721 15.121 -1.003 1.00 0.00 C ATOM 1665 O GLU A 134 11.605 15.522 -1.789 1.00 0.00 O ATOM 1666 CB GLU A 134 11.151 12.782 -1.774 1.00 0.00 C ATOM 1667 CG GLU A 134 10.615 11.404 -2.133 1.00 0.00 C ATOM 1668 CD GLU A 134 11.709 10.437 -2.542 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.292 10.613 -3.633 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.001 9.503 -1.768 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.329 15.787 -0.026 1.00 0.00 O ATOM 0 H GLU A 134 9.245 13.699 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 134 9.685 13.369 -0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.627 13.214 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.925 12.671 -1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.075 10.995 -1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 134 9.897 11.499 -2.948 1.00 0.00 H new